Water

Water

SCHEMBL299615

Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N4CCC(O)CC4)nc3)cc12.O

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 known ✓ O00255 1/20 0.57
PDE7A Q13946 7/20 0.70
MAPT P10636 11/20 0.61
TP53 P04637 4/20 0.59
NPC1 O15118 1/20 0.58
HTT P42858 1/20 0.58
RAB9A P51151 1/20 0.58
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
HCRTR1 O43613 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
PKM P14618 1/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL853272 0.99 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
SCHEMBL854372 0.89 PDE7A (0.68) PDE7AMAPTTP53NPC1HTT
SCHEMBL853735 0.88 PDE7A (0.70) PDE7AMAPTTP53NPC1HTT
SCHEMBL854682 0.86 PDE7A (0.73) PDE7AMAPTTP53NPC1HTT
SCHEMBL853047 0.85 PDE7A (0.72) PDE7AMAPTTP53NPC1HTT
SCHEMBL853087 0.85 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
SCHEMBL853125 0.84 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
SCHEMBL853713 0.84 PDE7A (0.71) PDE7AMAPTTP53NPC1HTT
SCHEMBL852924 0.84 PDE7A (0.72) PDE7AMAPTTP53NPC1HTT
Water SCHEMBL299614 0.83 PDE7A (0.98) PDE7A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance MITODICURE GMBH (DE) 2026-03-05 US disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION 2023-04-13 US disclosed
US-11464785-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2022-10-11 US disclosed
US-20220062194-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORP (US) 2022-03-03 US disclosed
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2021-12-28 US disclosed
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2019-05-09 US disclosed
EP-2846805-B1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORP (US) 2018-11-21 EP disclosed
US-20180289632-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2018-10-11 US disclosed
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2016-06-09 US disclosed
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders OMEROS CORPORATION (US) 2014-06-26 US disclosed
US-8637528-B2 Use of PDE7 inhibitors for the treatment of movement disorders OMEROS CORPORATION (US) 2014-01-28 US disclosed
WO-2013176877-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2013-11-28 WO disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
EP-2640395-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2013-09-25 EP disclosed
WO-2012064667-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2012-05-18 WO disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
EP-2427193-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS Omeros Corporation (US) 2012-03-14 EP disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180289632-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20160158247-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-11464785-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20220062194-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20260060970-A1 Use of a Therapeutic Agent with Phosphodiesterase-7 Inhibitory Activity for the Treatment and Prevention of Diseases Associated with Chronic Fatigue, Exhaustion and/or Exertional Intolerance PDE5A, PDE4C, PDE12 MEN1 409/4885PDE7A 5/4885MAPT 4622/4885
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20140179717-A1 Use of PDE7 Inhibitors for the Treatment of Movement Disorders PARK7, PDE7B, PDE7A MEN1 3873/4885PDE7A 3/4885MAPT 1951/4885
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20190134055-A1 Treatment of Addiction and Impulse-control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A MEN1 3007/4885PDE7A 10/4885MAPT 3149/4885
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A MEN1 3873/4885PDE7A 3/4885MAPT 1951/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.