SCHEMBL3405985

SCHEMBL3405985

CN(C)C1(c2ccccc2)CCN(C(=O)CCNCc2c[nH]c3ccc(Br)cc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.44
OPRM1 P35372 7/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
IDO1 P14902 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
GLA P06280 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 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
SCHEMBL3409870 0.89 OPRL1 (0.56) OPRL1OPRM1GLAHDAC3HDAC1
SCHEMBL3405988 0.81 OPRM1 (0.48) OPRL1OPRM1BCHEACHESIGMAR1
SCHEMBL3404179 0.76 EPHX1 (0.46) OPRL1OPRM1HDAC3HDAC1HDAC2
SCHEMBL3409913 0.76 GLA (0.57) OPRL1OPRM1BCHEACHEMTNR1A
SCHEMBL3404187 0.76 SIGMAR1 (0.42) OPRL1OPRM1BCHEACHESIGMAR1
SCHEMBL3410714 0.76 UTS2R (0.48) OPRL1OPRM1BCHEACHESIGMAR1
SCHEMBL3408818 0.75 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL3409362 0.75 OPRM1 (0.44) OPRL1OPRM1
SCHEMBL3410633 0.74 KMT2A (0.49) OPRL1OPRM1BCHEACHESIGMAR1
SCHEMBL3405040 0.74 OPRM1 (0.49) OPRL1OPRM1BCHEACHEDRD2

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 OPRL1 25/4885OPRM1 30/4885BCHE 2840/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRL1 25/4885OPRM1 30/4885BCHE 2840/4885

“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.