SCHEMBL3408780

SCHEMBL3408780

CN(c1cccc2[nH]ccc12)C(CC(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.36
OPRL1 P41146 11/20 0.36
CCR5 P51681 1/20 0.36
MAPK14 Q16539 1/20 0.34
PKM P14618 2/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
USP19 O94966 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GOT1 P17174 1/20 0.31

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
SCHEMBL4091868 0.90 PKM (0.38) OPRM1OPRL1CCR5PKMGAA
SCHEMBL3410162 0.87 OPRM1 (0.36) OPRM1OPRL1KMT2AOPRD1OPRK1
SCHEMBL4104191 0.84 OPRM1 (0.36) OPRM1OPRL1MAPK14OPRD1OPRK1
SCHEMBL3406628 0.83 OPRM1 (0.36) OPRM1OPRL1MAPK14OPRD1OPRK1
SCHEMBL3408714 0.83 SRC (0.37) OPRM1OPRL1GAAKMT2AOPRK1
SCHEMBL3408786 0.82 OPRM1 (0.35) OPRM1OPRL1CCR5MAPK14PKM
SCHEMBL4109214 0.81 MAPT (0.37) OPRM1OPRL1GAAKMT2AALDH1A1
SCHEMBL13735733 0.76 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1
SCHEMBL3401727 0.75 OPRM1 (0.42) OPRM1OPRL1PKMGAAKMT2A
Hydrochloric Acid SCHEMBL3403658 0.75 OPRM1 (0.46) OPRM1OPRL1OPRD1OPRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP claimed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US claimed
US-20090215828-A1 Substituted indole derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US claimed
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
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 25/4885CCR5 997/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885CCR5 997/4885

“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.