SCHEMBL4510414

SCHEMBL4510414

c1cc2c3c(c1)NCCC3CCC2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL4494937 0.93 HCRTR1 (0.35) OPRM1HTR1AADRA2AADRA1ACYP2D6
SCHEMBL4501455 0.84 OPRL1 (0.35) OPRM1ADRA2AADRA1AOPRL1OPRD1
SCHEMBL7245100 0.80 PARP1 (0.33)
SCHEMBL829452 0.79 TSHR (0.43) ADRA2AADRA1A
SCHEMBL18440762 0.76 HTR2C (0.41)
SCHEMBL30739530 0.75 TSHR (0.40)
SCHEMBL718791 0.75 TSHR (0.40)
SCHEMBL829845 0.73 TSHR (0.48) ADRA2AADRA1A
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 38 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-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US 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
EP-1181294-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN Sanochemia Pharmazeutika Aktiengesellschaft (AT) 2002-02-27 EP disclosed
WO-2001074820-A1 NOVEL DERIVATIVES AND ANALOGUES OF GALANTHAMIN SANOCHEMIA PHARMAZEUTIKA AKTIENGESELLSCHAFT (AT) 2001-10-11 WO disclosed
EP-1118322-A1 DRUGS FOR IMPROVING VESICAL EXCRETORY STRENGTH Takeda Chemical Industries, Ltd. (JP) 2001-07-25 EP 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
EP-0151319-B1 Hexahydrobenzo[de]quinoline derivatives and their preparation ELI LILLY AND COMPANY (US) 1988-04-20 EP disclosed
EP-0151319-B1 Hexahydrobenzo[de]quinoline derivatives and their preparation ELI LILLY AND COMPANY (US) 1988-04-20 EP disclosed
EP-0151319-A1 Hexahydrobenzo[de]quinoline derivatives and their preparation ELI LILLY AND COMPANY (US) 1985-08-14 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 (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-20070021391-A1 Preventive/remedy for urinary disturbance ACHE, BCHE, CHAT OPRM1 1053/4885HTR1A 2726/4885ADRA2A 824/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 OPRM1 69/4885HTR1A 98/4885ADRA2A 141/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A OPRM1 974/4885HTR1A 2390/4885ADRA2A 1443/4885
US-20020177593-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BPHL, BCHE OPRM1 1269/4885HTR1A 3634/4885ADRA2A 2340/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR OPRM1 377/4885HTR1A 83/4885ADRA2A 525/4885

“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.