SCHEMBL3407022

SCHEMBL3407022

CN(C)C1(c2cccs2)CCN(C(=O)CNC(=O)c2ccc3ccn(C)c3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
P2RY12 Q9H244 1/20 0.41
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
RIPK1 Q13546 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
RAB9A P51151 2/20 0.36
GFER P55789 1/20 0.35
NPC1 O15118 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR5 P51681 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
SCHEMBL3406256 0.87 CD274 (0.45) CHRNA7HDAC3HDAC1MAPK11MAPK14
SCHEMBL3409629 0.84 ITGB3 (0.39) CHRNA7KMT2AMAPK11MAPK14RIPK1
SCHEMBL3406215 0.81 OPRM1 (0.39) KMT2AHDAC3HDAC1SMN1; SMN2OPRM1
SCHEMBL3409892 0.77 OPRM1 (0.43) CHRNA7MAPK11MAPK14RIPK1SMN1; SMN2
SCHEMBL3407834 0.77 HDAC3 (0.47) CHRNA7HDAC3HDAC1MAPK11MAPK14
SCHEMBL3405076 0.76 OPRM1 (0.36) CHRNA7MAPK11MAPK14RIPK1OPRM1
SCHEMBL27835993 0.72 OPRM1 (0.35) POLBOPRM1OPRL1
SCHEMBL3403028 0.71 OPRM1 (0.49) OPRM1OPRL1
SCHEMBL3409276 0.68 MAPT (0.41) KMT2ASMN1; SMN2OPRM1OPRL1
SCHEMBL4103889 0.68 F10 (0.44) CHRNA7KMT2AMAPK14SMN1; SMN2OPRM1

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 CHRNA7 2327/4885P2RY12 828/4885POLB 3862/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 CHRNA7 2327/4885P2RY12 828/4885POLB 3862/4885

“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.