SCHEMBL3406635

SCHEMBL3406635

CN(C)C1(c2ccccc2)CCN(C(=O)CCNC(=O)c2cccc3c2ccn3C)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.46
OPRL1 P41146 6/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
CCR1 P32246 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
MGLL Q99685 1/20 0.39
KMT2A Q03164 1/20 0.38
TGM2 P21980 1/20 0.38
GFER P55789 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3407834 0.81 HDAC3 (0.47) OPRM1OPRL1HDAC3HDAC1CCR1
SCHEMBL3406113 0.77 KMT2A (0.56) OPRM1OPRL1BCHEACHEKMT2A
SCHEMBL3406215 0.76 OPRM1 (0.39) OPRM1OPRL1HDAC3HDAC1MGLL
SCHEMBL3403595 0.75 HRH3 (0.42) OPRM1OPRL1MGLL
SCHEMBL3406986 0.73 HDAC3 (0.41) OPRM1OPRL1HDAC3HDAC1KDM4E
SCHEMBL4093413 0.73 HSD11B1 (0.51) OPRM1OPRL1MGLLKMT2AGFER
SCHEMBL3409276 0.71 MAPT (0.41) OPRM1OPRL1MGLLKMT2AALDH1A1
SCHEMBL13733764 0.71 OPRM1 (0.62) OPRM1OPRL1
SCHEMBL3429858 0.71 MGLL (0.43) OPRM1OPRL1MGLL
SCHEMBL3409353 0.70 HDAC1 (0.46) OPRM1OPRL1HDAC3HDAC1CCR1

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
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 OPRM1 30/4885OPRL1 25/4885HDAC3 553/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885HDAC3 553/4885

“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.