SCHEMBL3409629

SCHEMBL3409629

CN(C)C1(c2cccs2)CCN(C(=O)CC(NC(=O)c2ccc3ccn(C)c3c2)c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
PPARG P37231 6/20 0.38
CHRNA7 P36544 1/20 0.37
LMNA P02545 2/20 0.37
PAK4 O96013 1/20 0.35
CTSA P10619 1/20 0.35
RIPK1 Q13546 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FAAH O00519 1/20 0.34

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
SCHEMBL4103889 0.85 F10 (0.44) ITGB3ITGA2BCHRNA7LMNAPAK4
SCHEMBL3407022 0.84 CHRNA7 (0.41) CHRNA7RIPK1OPRM1OPRL1MAPK11
SCHEMBL3409276 0.84 MAPT (0.41) ITGB3ITGA2BLMNAOPRM1OPRL1
SCHEMBL3405076 0.79 OPRM1 (0.36) CHRNA7RIPK1OPRM1OPRL1MAPK11
SCHEMBL27835993 0.78 OPRM1 (0.35) ITGB3ITGA2BOPRM1OPRL1
SCHEMBL3406256 0.78 CD274 (0.45) CHRNA7OPRM1OPRL1MAPK11MAPK14
SCHEMBL13735733 0.73 OPRM1 (0.47) OPRM1OPRL1HTT
SCHEMBL4104196 0.73 FAAH (0.39) OPRM1OPRL1MAPK14HTTFAAH
Hydrochloric Acid SCHEMBL3403658 0.72 OPRM1 (0.46) OPRM1OPRL1HTT
SCHEMBL3409892 0.72 OPRM1 (0.43) CHRNA7RIPK1OPRM1OPRL1MAPK11

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 ITGB3 4151/4885ITGA2B 4542/4885PPARG 1064/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 ITGB3 4151/4885ITGA2B 4542/4885PPARG 1064/4885

“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.