SCHEMBL4501455

SCHEMBL4501455

c1cc2c3c(c1)NCC3CCC2

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
HTR3B O95264 1/20 0.35
ADRA2A P08913 1/20 0.35
KCNE1 P15382 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
KCNQ1 P51787 1/20 0.35
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35

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 0.84 OPRM1 (0.35) OPRL1OPRM1OPRD1OPRK1ADRA2A
SCHEMBL4494937 0.84 HCRTR1 (0.35) OPRL1OPRM1OPRD1OPRK1ADRA2A
SCHEMBL261440 0.78 MAPT (0.45)
SCHEMBL16353671 0.77 HTR2C (0.47)
SCHEMBL6854090 0.77 PARP1 (0.56) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL19698078 0.77 HTR3B (0.40) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL31037184 0.77 PARP1 (0.56) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL21556355 0.77 HTR3B (0.40) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL829452 0.76 TSHR (0.43) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL743887 0.76 HTR2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4211653-A None JP disclosed
JP-4230664-A None JP 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-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
EP-0444851-A2 Hexahydrobenz[CD]indoles and processes for preparation thereof ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
EP-0444854-A2 6-Substituted hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
EP-0444851-A2 Hexahydrobenz[CD]indoles and processes for preparation thereof ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
EP-0444854-A2 6-Substituted hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
EP-0444853-A2 Hexahydrobenz[cd]indoles ELI LILLY AND COMPANY (US) 1991-09-04 EP disclosed
US-5039820-A Nervous system disorders ELI LILLY AND COMPANY (US) 1991-08-13 US disclosed
US-5026869-A Antidepressants; serotonin antagonists ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
US-4983622-A Antidepressants ELI LILLY AND COMPANY (US) 1991-01-08 US disclosed
EP-0153083-B1 6-SUBSTITUTED-4-DIALKYLAMINOTETRAHYDROBENZ(C,D)INDOLES ELI LILLY AND COMPANY (US) 1990-05-23 EP disclosed
US-4576959-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1986-03-18 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 (4 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 OPRL1 1079/4885OPRM1 1053/4885OPRD1 1349/4885
US-20070027138-A1 Derivatives and analogs of galanthamine GALR2, GALR1, GALR3 OPRL1 203/4885OPRM1 69/4885OPRD1 138/4885
US-20090264467-A1 Agents and crystals for improving excretory potency of urinary bladder ACHE, BCHE, PDE7A OPRL1 1806/4885OPRM1 974/4885OPRD1 1662/4885
US-20070232538-A1 Uses of polypeptides NPSR1, SCTR, GRPR OPRL1 23/4885OPRM1 377/4885OPRD1 184/4885

“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.