SCHEMBL2232147

SCHEMBL2232147

Nc1c(Cl)ccc2nc(N3CCC(C(=O)[O-])CC3)nc(Cc3ccc4c(c3)OCO4)c12.[Na+]

nearest known ligand 0.58

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A known ✓ P27815 2/20 0.58
PDE4B known ✓ Q07343 2/20 0.58
PDE4C known ✓ Q08493 2/20 0.58
PDE4D known ✓ Q08499 2/20 0.58
PDE5A O76074 2/20 0.58
PDE2A O00408 1/20 0.58
PDE1A P54750 1/20 0.58
PDE1B Q01064 1/20 0.58
PDE1C Q14123 1/20 0.58
KDM4E B2RXH2 3/20 0.43
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7794732 0.92 PDE4A (0.49) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL149749 0.92 PDE4A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL28844121 0.91 PDE4A (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7796197 0.88 PDE4A (0.44) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7794556 0.87 ALDH1A1 (0.46) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL29801535 0.85 LTB4R (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL27379808 0.84 LTB4R (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL5958056 0.81 PDE4A (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL7796503 0.81 PDE4A (0.53) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8863081 0.79 PDE4A (0.51) PDE5APDE4APDE4BPDE4CPDE4D

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US claimed
CN-114929233-A Phosphodiesterase type V inhibitor compositions, methods of making them, and methods of using them 美国瑞根特有限公司 2022-08-19 CN claimed
EP-0754069-B1 TREATMENT OF PULMONARY VASOCONSTRICTION AND ASTHMA GEN HOSPITAL CORP (US) 2004-06-23 EP claimed
US-6403597-B1 PRETREATMENT SEXUAL INTERCOURSE VIVUS, INC. 2002-06-11 US claimed
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation VIVUS, INC. 2002-03-28 US claimed
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US disclosed
US-20220387433-A1 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2022-12-08 US disclosed
EP-4058026-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM American Regent, Inc. (US) 2022-09-21 EP disclosed
CN-114929233-A Phosphodiesterase type V inhibitor compositions, methods of making them, and methods of using them 美国瑞根特有限公司 2022-08-19 CN disclosed
WO-2021096871-A3 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM AMERICAN REGENT, INC. (US) 2021-07-08 WO disclosed
WO-2021096871-A2 TYPE V PHOSPHODIESTERASE INHIBITOR COMPOSITIONS, METHODS OF MAKING THEM AND METHODS OF USING THEM IN PREVENTING OR TREATING ELEVATED PULMONARY VASCULAR PRESSURE OR PULMONARY HEMORRHAGES AMERICAN REGENT, INC. (US) 2021-05-20 WO disclosed
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 US disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2011-07-14 US disclosed
US-20080032933-A1 Type V Phosphodiesterase Inhibitors and Natriuretic Polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-02-07 US disclosed
US-20070042957-A1 TYPE V PHOSPHODIESTERASE INHIBITORS AND NATRIURETIC POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2007-02-22 US disclosed
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors VIVUS, INC. 2004-01-22 US disclosed
US-6403597-B1 PRETREATMENT SEXUAL INTERCOURSE VIVUS, INC. 2002-06-11 US disclosed
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation VIVUS, INC. 2002-03-28 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 (5 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-20110171195-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF PDE4A 106/4885PDE4B 122/4885PDE4C 95/4885
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation PDE5A, PDE3B, PDE3A PDE4A 5/4885PDE4B 8/4885PDE4C 7/4885
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors PDE3A, PDE3B, PDE12 PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B PDE4A 6/4885PDE4B 10/4885PDE4C 8/4885

“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.