SCHEMBL4494937

SCHEMBL4494937

c1cc2c3c(c1)NCCCC3CCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
OPRM1 P35372 2/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRL1 P41146 2/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 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
SCHEMBL4510414 0.93 OPRM1 (0.35) OPRM1HTR1AADRA2AADRA1ACYP2D6
SCHEMBL7245100 0.86 PARP1 (0.33)
SCHEMBL4501455 0.84 OPRL1 (0.35) OPRM1ADRA2AADRA1AOPRL1OPRD1
SCHEMBL829452 0.79 TSHR (0.43) ADRA2AADRA1A
SCHEMBL30739530 0.75 TSHR (0.40)
SCHEMBL718791 0.75 TSHR (0.40)
SCHEMBL829845 0.73 TSHR (0.48) ADRA2AADRA1A
SCHEMBL18440762 0.72 HTR2C (0.41)
SCHEMBL22699873 0.71 MAPT (0.35) OPRM1HTR1AADRA2AADRA1ACYP2D6
SCHEMBL10469000 0.70 HTR2C (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070027138-A1 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT 2007-02-01 US disclosed
US-20070021391-A1 Preventive/remedy for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-25 US disclosed
US-7166588-B2 Derivatives and analogs of galanthamine SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2007-01-23 US disclosed
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ISIHARA YUJI 2006-12-14 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-20030191150-A1 Process for producing tricyclic fused heterocyclic derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-09 US disclosed
EP-1331010-A1 PREVENTIVES AND REMEDIES FOR CENTRAL NERVOUS SYSTEM DISEASES Takeda Chemical Industries, Ltd. (JP) 2003-07-30 EP disclosed
EP-1319661-A1 PROCESS FOR PRODUCING TRICYCLIC FUSED HETEROCYCLIC DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2003-06-18 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-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2002-11-28 US disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP disclosed
US-5686466-A CHOLINESERASE INHIBITOR; TREATMENT OF SENILE DEMENTIA, ALZHEIMER'S DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-11-11 US disclosed
US-5527800-A A 4H-PYRROLO(3,2,1-IJ)QUINOLIN-8-YL DERIVATIVE ADMINISTERED FOR THERAPY OR PROPHYLAXIS OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US disclosed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 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 HCRTR1 1820/4885HCRTR2 2084/4885OPRM1 1053/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 HCRTR1 1743/4885HCRTR2 1480/4885OPRM1 69/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A HCRTR1 3236/4885HCRTR2 3699/4885OPRM1 974/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE HCRTR1 3661/4885HCRTR2 3808/4885OPRM1 1269/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR HCRTR1 10/4885HCRTR2 17/4885OPRM1 377/4885
US-20060281725-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A HCRTR1 3278/4885HCRTR2 3731/4885OPRM1 923/4885
US-20030191150-A1 Process for producing tricyclic fused heterocyclic derivative ACHE, BCHE, COASY HCRTR1 4188/4885HCRTR2 3934/4885OPRM1 2671/4885

“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.