SCHEMBL3409871

SCHEMBL3409871

CN(CCC(=O)N1CCC(c2ccccc2)(N(C)C)CC1)c1c[nH]c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.59
OPRM1 P35372 12/20 0.59
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.43
OGFRL1 Q5TC84 1/20 0.41
CCR5 P51681 1/20 0.40

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
SCHEMBL3405988 0.90 OPRM1 (0.48) OPRL1OPRM1GLAOGFRL1
SCHEMBL3405037 0.82 OPRM1 (0.52) OPRL1OPRM1ALDH1A1OGFRL1
SCHEMBL3409870 0.80 OPRL1 (0.56) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3409366 0.79 OPRM1 (0.48) OPRL1OPRM1
SCHEMBL3409913 0.78 GLA (0.57) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3408819 0.77 OPRM1 (0.46) OPRL1OPRM1
SCHEMBL3404182 0.76 OPRM1 (0.45) OPRL1OPRM1
SCHEMBL3410659 0.76 OPRL1 (0.43) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL13733764 0.76 OPRM1 (0.62) OPRL1OPRM1
Hydrochloric Acid SCHEMBL3401730 0.75 OPRM1 (0.60) OPRL1OPRM1

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 OPRL1 25/4885OPRM1 30/4885GLA 2383/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885GLA 2383/4885

“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.