SCHEMBL3408602

SCHEMBL3408602

CN(C)C1(c2ccccc2)CCN(C(=O)C2CN(C(=O)c3ccc4ccn(C)c4c3)c3ccccc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
CHRNA7 P36544 1/20 0.36
GPR183 P32249 1/20 0.35
CCR5 P51681 1/20 0.35
CPS1 P31327 1/20 0.34
OPRM1 P35372 6/20 0.34
OPRL1 P41146 6/20 0.34
KDM2B Q8NHM5 1/20 0.34
OXTR P30559 1/20 0.34
MAPK14 Q16539 2/20 0.33
FAAH O00519 1/20 0.33
DDR1 Q08345 1/20 0.32
FASN P49327 1/20 0.32
PRKACA P17612 1/20 0.32
PRKACG P22612 1/20 0.32
PRKACB P22694 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32

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
SCHEMBL3429858 0.82 MGLL (0.43) CCR5OPRM1OPRL1
SCHEMBL27835987 0.80 PRKACA (0.41) RIPK1CHRNA7GPR183CPS1KDM2B
SCHEMBL3407051 0.80 ALDH1A1 (0.45) RIPK1CHRNA7GPR183KDM2B
SCHEMBL27835989 0.72 CPS1 (0.41) RIPK1CHRNA7GPR183CPS1KDM2B
SCHEMBL3407834 0.71 HDAC3 (0.47) RIPK1CHRNA7OPRM1OPRL1MAPK14
SCHEMBL3403619 0.70 HRH3 (0.41) CHRNA7OPRM1OPRL1KDM2BFAAH
SCHEMBL14911257 0.69 KDM2B (0.37) RIPK1CHRNA7GPR183CCR5OPRM1
SCHEMBL3407837 0.69 HTR7 (0.41) CHRNA7OPRM1OPRL1KDM2BFAAH
SCHEMBL3404064 0.68 FAAH (0.41) OPRM1OPRL1MAPK14FAAH
SCHEMBL4092689 0.68 FAAH (0.41) OPRM1OPRL1MAPK14FAAHFASN

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 RIPK1 1925/4885CHRNA7 2327/4885GPR183 809/4885
US-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 RIPK1 1925/4885CHRNA7 2327/4885GPR183 809/4885

“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.