SCHEMBL2866271

SCHEMBL2866271

CN(C)C1(c2cccs2)CCN(CCNC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.50
OPRL1 P41146 6/20 0.50
TSHR P16473 1/20 0.43
KDM1A O60341 1/20 0.40
UTS2R Q9UKP6 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TACR3 P29371 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
SCHEMBL3052502 0.85 DRD2 (0.53) OPRM1OPRL1
SCHEMBL2866184 0.84 OPRM1 (0.54) OPRM1OPRL1TSHRALDH1A1
SCHEMBL14927121 0.84 OPRM1 (0.55) OPRM1OPRL1ALDH1A1
SCHEMBL2866221 0.80 OPRM1 (0.55) OPRM1OPRL1TSHRKMT2AMEN1
SCHEMBL3050803 0.79 OPRM1 (0.59) OPRM1OPRL1KMT2AMEN1CYP2C19
SCHEMBL3406986 0.79 HDAC3 (0.41) OPRM1OPRL1TSHRALDH1A1LMNA
SCHEMBL3406256 0.78 CD274 (0.45) OPRM1OPRL1CYP2D6CYP2C19
SCHEMBL13139593 0.78 OPRM1 (0.57) OPRM1OPRL1KMT2AMEN1
SCHEMBL27835991 0.78 OPRM1 (0.57) OPRM1OPRL1KMT2AMEN1TACR3
Hydrochloric Acid SCHEMBL3055410 0.78 OPRM1 (0.58) OPRM1OPRL1KMT2AMEN1ALDH1A1

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 disclosed
EP-2254883-B1 SUBSTITUTED INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2014-11-26 EP disclosed
US-8492559-B2 Substituted indole compounds GRUENENTHAL GMBH (DE) 2013-07-23 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-2393803-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2011-12-14 EP disclosed
EP-2254883-A1 SUBSTITUTED INDOLE DERIVATIVES Grünenthal GmbH (DE) 2010-12-01 EP disclosed
US-20100222324-A1 Substituted Indole Compounds GRUENENTHAL GMBH (DE) 2010-09-02 US disclosed
WO-2010089084-A1 SUBSTITUTED INDOLE COMPOUNDS AS BRADYKININ RECEPTOR 1 MODULATORS Grünenthal GmbH (DE) 2010-08-12 WO 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 (3 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 25/4885TSHR 2971/4885
US-20100222324-A1 Substituted Indole Compounds BDKRB1, BDKRB2, EDNRB OPRM1 135/4885OPRL1 10/4885TSHR 218/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 OPRM1 30/4885OPRL1 25/4885TSHR 2971/4885

“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.