SCHEMBL3406045

SCHEMBL3406045

CN(C)C1(c2ccccc2)CCN(C(=O)C2CN(Cc3cccc4[nH]ccc34)c3ccccc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 13/20 0.45
OPRM1 P35372 13/20 0.45
OPRK1 P41145 3/20 0.40
CCR5 P51681 1/20 0.38
MAPK14 Q16539 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GOT1 P17174 1/20 0.35
CNR2 P34972 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
SCHEMBL3404064 0.83 FAAH (0.41) OPRL1OPRM1MAPK14
SCHEMBL4092689 0.83 FAAH (0.41) OPRL1OPRM1MAPK14CNR2
SCHEMBL3410662 0.79 KDM4E (0.50) OPRL1OPRM1
SCHEMBL14917489 0.77 OPRM1 (0.48) OPRL1OPRM1CCR5MAPK14GOT1
SCHEMBL17302947 0.76 OPRM1 (0.40) OPRL1OPRM1OPRK1MAPK14HCRTR1
SCHEMBL3403650 0.72 OPRL1 (0.38) OPRL1OPRM1OPRK1CCR5
SCHEMBL3410202 0.71 OPRM1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL3404694 0.68 CYP2D6 (0.52) OPRL1OPRM1
SCHEMBL3429858 0.67 MGLL (0.43) OPRL1OPRM1CCR5
SCHEMBL3403549 0.67 OPRL1 (0.49) OPRL1OPRM1OPRK1

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 11 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
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 OPRL1 25/4885OPRM1 30/4885OPRK1 6/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885OPRK1 6/4885

“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.