SCHEMBL3401667

SCHEMBL3401667

CC(CC(=O)N(C)CCCN1CCC(c2cccs2)(N(C)C)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
TACR2 P21452 3/20 0.39
MGAM O43451 2/20 0.37
GAA P10253 2/20 0.37
SI P14410 2/20 0.37
MGAM2 Q2M2H8 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 4/20 0.34
HTR7 P34969 3/20 0.34
DRD2 P14416 1/20 0.34
MC4R P32245 1/20 0.34
MC5R P33032 1/20 0.34
MC3R P41968 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL3407998 0.93 OPRM1 (0.40) OPRM1OPRL1TACR2MGAMGAA
SCHEMBL3409873 0.88 OPRL1 (0.42) OPRM1OPRL1TACR2SMN1; SMN2MAPT
SCHEMBL3406318 0.84 SMN1; SMN2 (0.51) OPRM1OPRL1TACR2GAANPSR1
SCHEMBL3410673 0.83 TACR2 (0.49) OPRM1OPRL1TACR2DRD2
SCHEMBL3407701 0.82 OPRL1 (0.42) OPRM1OPRL1MAPTKMT2AHTR2A
SCHEMBL3409859 0.80 OPRL1 (0.41) OPRM1OPRL1TACR2SMN1; SMN2MAPT
SCHEMBL3405014 0.78 GAA (0.37) OPRM1OPRL1MGAMGAASI
SCHEMBL3410680 0.77 NPC1 (0.41) OPRM1TACR2SMN1; SMN2NPC1KMT2A
SCHEMBL3408609 0.76 HSD17B10 (0.42) OPRM1OPRL1GAANPSR1SMN1; SMN2
SCHEMBL3408808 0.76 NPSR1 (0.42) OPRM1OPRL1TACR2NPSR1HTR2A

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 17 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
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-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US 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
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 (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 25/4885TACR2 2738/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885TACR2 2738/4885

“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.