SCHEMBL2839265

SCHEMBL2839265

CN(C)C1(c2cccs2)CCNCC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.63
OPRL1 P41146 12/20 0.63
SLC6A3 Q01959 1/20 0.39
SLC6A2 P23975 1/20 0.38

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
Hydrochloric Acid SCHEMBL2339996 0.98 OPRM1 (0.61) OPRM1OPRL1SLC6A3SLC6A2
Trifluoroacetic Acid SCHEMBL3409375 0.86 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17438824 0.84 OPRM1 (0.57) OPRM1OPRL1
SCHEMBL3409128 0.81 OPRM1 (0.67) OPRM1OPRL1SLC6A3SLC6A2
SCHEMBL4081238 0.80 OPRM1 (0.65) OPRM1OPRL1SLC6A3SLC6A2
SCHEMBL17443464 0.79 OPRM1 (0.63) OPRM1OPRL1SLC6A3SLC6A2
SCHEMBL3407373 0.77 OPRL1 (1.00) OPRM1OPRL1
SCHEMBL517361 0.77 OPRM1 (0.61) OPRM1OPRL1SLC6A3
SCHEMBL4076511 0.76 OPRL1 (0.59) OPRM1OPRL1SLC6A3SLC6A2
SCHEMBL20866603 0.76 OPRL1 (0.59) OPRM1OPRL1SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015683-A Substituted indole derivatives GRUENENTHAL GMBH 2011-04-13 CN claimed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds GRUENENTHAL GMBH (DE) 2010-07-08 US disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 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-20090215828-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885SLC6A3 284/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB OPRM1 135/4885OPRL1 10/4885SLC6A3 481/4885
US-20100173889-A1 Substituted Pyrimidine and Triazine Compounds ADORA2B, CCNB1, TYMS OPRM1 1056/4885OPRL1 522/4885SLC6A3 2272/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885SLC6A3 284/4885

“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.