SCHEMBL3405076

SCHEMBL3405076

CN(C(=O)c1ccc2ccn(C)c2c1)C(C(=O)N1CCC(c2cccs2)(N(C)C)CC1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.36
OPRL1 P41146 6/20 0.36
RIPK1 Q13546 1/20 0.34
CHRNA7 P36544 1/20 0.34
USP19 O94966 1/20 0.33
FAAH O00519 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
GPR183 P32249 1/20 0.32
CCR5 P51681 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM2B Q8NHM5 1/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
CHRM3 P20309 1/20 0.30

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
SCHEMBL3407828 0.84 F10 (0.43) OPRM1OPRL1RIPK1USP19OPRD1
SCHEMBL3409629 0.79 ITGB3 (0.39) OPRM1OPRL1RIPK1CHRNA7FAAH
SCHEMBL3407022 0.76 CHRNA7 (0.41) OPRM1OPRL1RIPK1CHRNA7CCR5
SCHEMBL3409892 0.76 OPRM1 (0.43) OPRM1OPRL1RIPK1CHRNA7ALDH1A1
SCHEMBL3406256 0.74 CD274 (0.45) OPRM1OPRL1CHRNA7CYP2D6CYP2C19
SCHEMBL3409851 0.73 HSD17B10 (0.45) OPRM1OPRL1ALDH1A1TP53
SCHEMBL27835993 0.73 OPRM1 (0.35) OPRM1OPRL1USP19OPRD1OPRK1
SCHEMBL3431326 0.72 OPRM1 (0.48) OPRM1OPRL1OPRD1OPRK1CCR5
Hydrochloric Acid SCHEMBL4098229 0.72 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1CCR5
SCHEMBL3408086 0.71 FFAR2 (0.38) OPRM1OPRL1FAAHOPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US claimed
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
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP claimed
WO-2009103552-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2009-08-27 WO 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 25/4885RIPK1 1925/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885RIPK1 1925/4885

“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.