SCHEMBL220219

SCHEMBL220219

O=c1[nH]c2ccccc2n1C1CC[N]CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 5/20 0.62
CHRM2 P08172 2/20 0.62
CHRM4 P08173 2/20 0.62
CHRM3 P20309 1/20 0.62
OPRM1 P35372 7/20 0.59
OPRK1 P41145 2/20 0.59
OPRL1 P41146 2/20 0.59
SLC18A3 Q16572 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
PLD1 Q13393 1/20 0.54
DRD2 P14416 1/20 0.53
KCNH2 Q12809 1/20 0.53
HSD11B1 P28845 1/20 0.53

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
SCHEMBL319049 0.89 CHRM1 (0.70) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3142425 0.85 CHRM1 (0.81) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL4084782 0.85 CHRM1 (0.76) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL3146496 0.84 CHRM2 (0.83) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL29467164 0.83 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL44492 0.83 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL8863641 0.83 CHRM1 (0.63) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL7008960 0.82 ALDH1A1 (0.52) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL2255984 0.81 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1
SCHEMBL342295 0.81 CHRM1 (0.62) CHRM1CHRM2CHRM4CHRM3OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 WO claimed
US-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use WYETH (US) 2007-12-27 US claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
EP-0739891-B1 Substituted heterocycles ASTRAZENECA AB (SE) 2005-01-19 EP claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
US-6653295-B2 Protease inhibitor; viricide BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US claimed
EP-0680962-B1 Heterocyclic compounds ASTRAZENECA AB (SE) 2003-08-20 EP claimed
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-04-03 US claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
EP-0734383-B1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ASTRAZENECA AB (SE) 2002-07-24 EP claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
EP-0739891-A2 Substituted heterocycles ZENECA LIMITED (GB) 1996-10-30 EP claimed
WO-1995016682-A1 CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS ZENECA LIMITED (GB) 1995-06-22 WO claimed
US-4487774-A Isochromans THE UPJOHN COMPANY (US) 1984-12-11 US claimed
EP-1926721-B1 THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS MSD ITALIA SRL (IT) 2016-05-04 EP disclosed
US-8435973-B2 17-beta HSD1 and STS inhibitors ABBOTT PRODUCTS GMBH (DE) 2013-05-07 US disclosed
EP-1888615-B1 17 -HSD1 AND STS INHIBITORS ABBOTT PRODUCTS GMBH (DE) 2012-05-16 EP disclosed
US-4148796-A γ-Piperidinobutyrophenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1979-04-10 US disclosed
US-3996362-A ANTIDEPRESSANTS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1976-12-07 US disclosed
US-3951978-A ANALGESIC, ANTIARRHYTHMIC, CENTRAL NERVOUS DEPRESSANT ISTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-04-20 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 (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-20070299105-A1 2-Cyanopropanoic Acid Amide and Ester Derivatives and Methods of Their Use HCAR2, PCCA, MCCC2 CHRM1 2120/4885CHRM2 613/4885CHRM4 2401/4885
US-20030064962-A1 Inhibitors of hepatitis C virus NS3 protease PRSS1, SERPINB1, SPINT2 CHRM1 4863/4885CHRM2 4881/4885CHRM4 4879/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R CHRM1 905/4885CHRM2 1185/4885CHRM4 930/4885

“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.