SCHEMBL676963

SCHEMBL676963

[c]1ccccc1OC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 2/20 0.34
HRH1 P35367 1/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
MCHR1 Q99705 2/20 0.32
FABP7 O15540 1/20 0.32
FABP5 Q01469 1/20 0.32
PDK2 Q15119 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT1 Q99873 1/20 0.31
KAT6A Q92794 1/20 0.31
VCP P55072 2/20 0.31
PDE5A O76074 1/20 0.31
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL2921894 0.98 PDE9A (0.36) PDE9AHRH1PDE4APDE4BPDE4C
SCHEMBL677024 0.98 PDE9A (0.36) PDE9AHRH1PDE4APDE4BPDE4C
SCHEMBL233125 0.98 PDE9A (0.36) PDE9AHRH1PDE4APDE4BPDE4C
SCHEMBL232553 0.96 HRH1 (0.33) PDE9AHRH1PDE4APDE4BPDE4C
SCHEMBL709427 0.92 HRH1 (0.35) HRH1
SCHEMBL677022 0.90 HRH1 (0.32) HRH1
SCHEMBL6530733 0.90 PDE9A (0.35) PDE9APDE4APDE4BPDE4CPDE4D
SCHEMBL4352771 0.89 HRH1 (0.30) HRH1
SCHEMBL677299 0.86 PDE9A (0.30) PDE9A
SCHEMBL4361390 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106458937-A Diaminotriazine derivatives as herbicides 巴斯夫欧洲公司 2017-02-22 CN claimed
EP-2356103-B1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS TAKEDA GMBH (DE) 2015-08-26 EP claimed
CN-102369194-B Pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2014-08-27 CN claimed
US-8609848-B2 Pyrazolone-derivatives and their use as PDE-4 inhibitors TAKEDA GMBH (DE) 2013-12-17 US claimed
CN-102369194-A Novel pyrazolone derivatives and their use as PD4 inhibitors NYCOMED GMBH 2012-03-07 CN claimed
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS NYCOMED GMBH (DE) 2011-09-08 US claimed
EP-2356103-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS Nycomed GmbH (DE) 2011-08-17 EP claimed
WO-2010055083-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PD4 INHIBITORS NYCOMED GMBH (DE) 2010-05-20 WO claimed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
US-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2007-09-20 US claimed
EP-1682145-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2006-07-26 EP claimed
EP-1668007-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS Ranbaxy Laboratories Limited (IN) 2006-06-14 EP claimed
WO-2006051399-A1 PIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-05-18 WO claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO claimed
WO-2005037282-A1 1-ALKYLPIPERAZINYL-PYRROLIDIN-2,5-DIONE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-04-28 WO claimed
WO-2005026163-A1 DIOXOLANE DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-03-24 WO claimed
EP-1399445-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-24 EP claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
WO-2002059124-A2 SUBSTITUTED PYRROLOQUINOLINES AND PYRIDOQUINOLINES AS SEROTONIN AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-01 WO claimed
US-3971804-A ACARICIDES, FUNGICIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 US claimed

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

For each of this compound's patents that has machine-readable text (3 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-20070219216-A1 1-Alkylpiperazinyl-Pyrrolidin-2,5-Dione Derivatives as Adrenergic Receptor Antagonists ADRA1D, ADRA1A, ADRB1 PDE9A 539/4885HRH1 142/4885PDE4A 138/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A PDE9A 617/4885HRH1 68/4885PDE4A 168/4885
US-20110218201-A1 NOVEL PYRAZOLONE-DERIVATIVES AND THEIR USE AS PDE-4 INHIBITORS PDE4A, PDE3B, PDE3A PDE9A 12/4885HRH1 3322/4885PDE4A 1/4885

“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.