SCHEMBL3404182

SCHEMBL3404182

CN(CCC(=O)N1CCC(c2ccccc2)(N(C)C)CC1)c1ccc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
OPRL1 P41146 7/20 0.45
EPHX1 P07099 1/20 0.40
CYP2D6 P10635 1/20 0.40
EPHX2 P34913 1/20 0.40
SLC6A2 P23975 4/20 0.39
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 4/20 0.39
MAPK14 Q16539 1/20 0.38
TACR1 P25103 2/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
GLI1 P08151 1/20 0.37
GLI2 P10070 1/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL3408819 0.93 OPRM1 (0.46) OPRM1OPRL1MAPK14TACR1GLI1
SCHEMBL3404179 0.80 EPHX1 (0.46) OPRM1OPRL1EPHX1CYP2D6EPHX2
SCHEMBL3409366 0.80 OPRM1 (0.48) OPRM1OPRL1TACR1
SCHEMBL3405988 0.77 OPRM1 (0.48) OPRM1OPRL1TACR1
SCHEMBL3409871 0.76 OPRL1 (0.59) OPRM1OPRL1
SCHEMBL3409353 0.76 HDAC1 (0.46) OPRM1OPRL1MAPK14
SCHEMBL3408818 0.76 OPRM1 (0.44) OPRM1OPRL1EPHX1CYP2D6EPHX2
SCHEMBL13733764 0.73 OPRM1 (0.62) OPRM1OPRL1
SCHEMBL3405037 0.73 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL3410140 0.72 EPHX1 (0.42) OPRM1OPRL1EPHX1CYP2D6EPHX2

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
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
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 25/4885EPHX1 2955/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885EPHX1 2955/4885

“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.