SCHEMBL4493830

SCHEMBL4493830

c1ccc2c(c1)CCNCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.64
HTR2C P28335 2/20 0.54
MAOB P27338 2/20 0.48
PNMT P11086 2/20 0.48
CD44 P16070 1/20 0.48
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
PRCP P42785 1/20 0.37
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
MAOA P21397 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
NISCH Q9Y2I1 1/20 0.35
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34

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
SCHEMBL26246662 0.79 HTR2C (0.54) OXTRHTR2CMAOBPNMTCD44
SCHEMBL29356240 0.78 OXTR (1.00) OXTRHTR2CMAOBPNMTCD44
SCHEMBL879092 0.78 OXTR (1.00) OXTRHTR2CMAOBPNMTCD44
SCHEMBL17969084 0.78 OXTR (1.00) OXTRHTR2CMAOBPNMTCD44
SCHEMBL11096945 0.78 HTR2C (0.65) OXTRHTR2CMAOBPNMTCD44
Aziridine SCHEMBL31305856 0.73 OXTR (0.47) OXTRHTR2CMAOBPNMTCD44
SCHEMBL27711072 0.73 OXTR (0.88) OXTRMAOBPNMTCD44MAOA
Piperidine SCHEMBL8139417 0.73 OXTR (0.79) OXTRHTR2CMAOBPNMTCD44
SCHEMBL11097746 0.72 HTR2C (0.56) OXTRHTR2CMAOBPNMTCD44
SCHEMBL175146 0.71 HTR2C (1.00) HTR2CMAOBPNMTCD44HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 US disclosed
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-05-26 US disclosed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ISHIHARA YUJI 2009-10-22 US disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
EP-1891954-A2 Acetylcholinesterase inhibitors for improving excretory potency of urinary bladder Takeda Pharmaceutical Company Limited (JP) 2008-02-27 EP disclosed
US-20070232538-A1 Uses of polypeptides TAKEDA PHARMACEUTICAL COMPANY, LTD (JP) 2007-10-04 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-6534496-B1 Prophylactic and/or therapeutic drug for obesity and obesity associated diseasestor diabetes with a reduced risk for central side effects and high universality in usage. Another object of the a lipolytic agent, or a prophylactic and/or TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 2003-03-18 US disclosed
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
US-6319916-B1 CHOLINESTERASE INHIBITOR FOR SENILE DEMENTIA AND ALZHEIMER'S TREATMENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-11-20 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
EP-0975624-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998046590-A1 THERMOGENIC COMPOSITION AND BENZAZEPINE THERMOGENICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-22 WO disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP 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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT OXTR 2118/4885HTR2C 3019/4885MAOB 53/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A OXTR 4154/4885HTR2C 2108/4885MAOB 207/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE OXTR 3949/4885HTR2C 3047/4885MAOB 259/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR OXTR 14/4885HTR2C 155/4885MAOB 1973/4885
US-20220162216-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN OXTR 2704/4885HTR2C 4437/4885MAOB 3402/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 OXTR 3931/4885HTR2C 2371/4885MAOB 957/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 OXTR 3931/4885HTR2C 2371/4885MAOB 957/4885

“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.