Water

Water

SCHEMBL3089403

CC(=O)N1CCN(NC(=O)c2ccc(F)cc2)CC1.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 17)

geneUniProtsupporting neighboursconfidence
ALOX5 known ✓ P09917 1/20 0.44
CYP2D6 P10635 3/20 0.70
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CCNA1 P78396 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL194951 0.98 CYP2D6 (0.72) CYP2D6CYP2C9CYP2C19ALOX5CCNA2
SCHEMBL7975173 0.93 CYP2D6 (0.65) CYP2D6CYP2C9CYP2C19ALOX5CCNA2
SCHEMBL8018069 0.84 CYP2D6 (0.53) CYP2D6CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL7972839 0.84 CYP2D6 (0.53) CYP2D6CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL7972123 0.84 CYP2D6 (0.52) CYP2D6SMN1; SMN2MAPTHTTHPGD
SCHEMBL14590778 0.83 HTT (0.65) CYP2D6CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL7958989 0.82 AURKA (0.48) CYP2D6CYP2C9CCNA2CDK2CCNA1
SCHEMBL7968909 0.82 CYP2D6 (0.50) CYP2D6CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL14817973 0.81 CYP2D6 (0.65) CYP2D6GAAHTTALDH1A1HPGD
SCHEMBL9191980 0.81 CYP2D6 (0.75) CYP2D6CYP2C9CYP2C19CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4509120-A2 COMPOSITIONS FOR IMPROVING CELL VIABILITY AND METHODS OF USE THEREOF Amylyx Pharmaceuticals Inc. (US) 2025-02-19 EP claimed
US-12186330-B2 Compositions for improving cell viability and methods of use thereof Amylyx Pharmaceuticals Inc. (US) 2025-01-07 US claimed
US-20220160733-A1 COMPOSITIONS FOR IMPROVING CELL VIABILITY AND METHODS OF USE THEREOF Amylyx Pharmaceuticals Inc. 2022-05-26 US claimed
US-20210228488-A1 EXTENDED RELEASE COMPOSITIONS AND PROCESS FOR PREPARATION RUBICON RES PRIVATE LIMITED (IN) 2021-07-29 US claimed
US-20190262268-A1 ORAL MODIFIED RELEASE FORMULATIONS RUBICON RES PRIVATE LIMITED (IN) 2019-08-29 US claimed
WO-2018055641-A1 ORAL MODIFIED RELEASE FORMULATIONS RUBICON RESEARCH PRIVATE LIMITED (IN) 2018-03-29 WO claimed
US-20170128379-A1 MODIFIED RELEASE PHARMACEUTICAL PREPARATIONS RUBICON RESEARCH PRIVATE LIMITED (IN) 2017-05-11 US claimed
WO-2016001937-A2 MODIFIED RELEASE PHARMACEUTICAL PREPARATIONS RUBICON RESEARCH PRIVATE LIMITED (IN) 2016-01-07 WO claimed
WO-2009005519-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMER'S DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACCERA, INC. (US) 2009-01-08 WO claimed
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACCERA, INC. (US) 2008-01-10 US claimed
US-20060069104-A1 Neurotrophic factor production accelerator ASTELLAS PHARMA INC. (JP) 2006-03-30 US claimed
EP-1498126-A1 NEUROTROPHIC FACTOR PRODUCTION ACCELERATOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-19 EP claimed
US-20030045529-A1 Method for specifically potentiating N-type Ca2+ channel activity SHUJI KANEKO (JP) 2003-03-06 US claimed
EP-0944612-B1 N-(4-ACETYL-1-PIPERAZINYL)-4-FLUOROBENZAMIDE HYDRATE FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP claimed
US-6284760-B1 ADMINISTERING A PIPERAZINO COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-04 US claimed
US-12637450-B2 Tri-substituted aryl and heteroaryl derivatives as modulators of PI3-kinase and autophagy pathways GLOBAL CANCER TECHNOLOGY INC. (US) 2026-05-26 US disclosed
US-20250275985-A1 COMPOSITIONS FOR IMPROVING CELL VIABILITY AND METHODS OF USE THEREOF AMYLYX PHARMACEUTICALS, INC. 2025-09-04 US disclosed
EP-0944612-A1 N-(4-ACETYL-1-PIPERAZINYL)-4-FLUOROBENZAMIDE HYDRATE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed
WO-1998025914-A1 N-(4-ACETYL-1-PIPERAZINYL)-4-FLUOROBENZAMIDE HYDRATE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-18 WO disclosed
WO-1998025914-A1 N-(4-ACETYL-1-PIPERAZINYL)-4-FLUOROBENZAMIDE HYDRATE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-18 WO 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 (7 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-20220160733-A1 COMPOSITIONS FOR IMPROVING CELL VIABILITY AND METHODS OF USE THEREOF HSPA9, CYP27A1, TUFM ALOX5 969/4885CYP2D6 2637/4885CYP2C9 2152/4885
US-20250275985-A1 COMPOSITIONS FOR IMPROVING CELL VIABILITY AND METHODS OF USE THEREOF HSPA9, CYP27A1, TUFM ALOX5 969/4885CYP2D6 2637/4885CYP2C9 2152/4885
US-20030045529-A1 Method for specifically potentiating N-type Ca2+ channel activity CACNA1H, CACNA1B, CACNA1S ALOX5 665/4885CYP2D6 1242/4885CYP2C9 1721/4885
US-12637450-B2 Tri-substituted aryl and heteroaryl derivatives as modulators of PI3-kinase and autophagy pathways PIK3R4, PIK3R1, ATG7 ALOX5 3936/4885CYP2D6 3359/4885CYP2C9 4053/4885
US-20060069104-A1 Neurotrophic factor production accelerator BDNF, NTRK2, NGF ALOX5 1097/4885CYP2D6 4015/4885CYP2C9 4317/4885
US-20080009467-A1 COMBINATIONS OF MEDIUM CHAIN TRIGLYCERIDES AND THERAPEUTIC AGENTS FOR THE TREATMENT AND PREVENTION OF ALZHEIMERS DISEASE AND OTHER DISEASES RESULTING FROM REDUCED NEURONAL METABOLISM ACHE, CHAT, BACE1 ALOX5 145/4885CYP2D6 3153/4885CYP2C9 3328/4885
US-12186330-B2 Compositions for improving cell viability and methods of use thereof HSPA9, CYP27A1, TUFM ALOX5 969/4885CYP2D6 2637/4885CYP2C9 2152/4885

“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.