SCHEMBL3409870

SCHEMBL3409870

CN(C)C1(c2ccccc2)CCN(C(=O)CCNCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.56
OPRM1 P35372 6/20 0.56
GLA P06280 1/20 0.49
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MC5R P33032 1/20 0.45
MC3R P41968 1/20 0.45
MC1R Q01726 1/20 0.45
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TACR2 P21452 1/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL3405985 0.89 OPRL1 (0.44) OPRL1OPRM1GLAKMT2AHDAC3
SCHEMBL3409913 0.86 GLA (0.57) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3405040 0.82 OPRM1 (0.49) OPRL1OPRM1ALDH1A1LMNAKDM4E
SCHEMBL3409871 0.80 OPRL1 (0.59) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3409362 0.79 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL3410659 0.78 OPRL1 (0.43) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3408818 0.77 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL3407477 0.77 OPRL1 (0.42) OPRL1OPRM1GLAKMT2AALDH1A1
SCHEMBL3404179 0.77 EPHX1 (0.46) OPRL1OPRM1HDAC3HDAC1HDAC2
SCHEMBL5349434 0.77 OPRL1 (0.72) OPRL1OPRM1KMT2AALDH1A1MC5R

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 10 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
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.