SCHEMBL4117072

SCHEMBL4117072

CNC(=O)C(NC(=O)c1nc(-c2cc(F)c(F)cc2F)n2c1CN(Cc1ccco1)CC2)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.49
CNR1 P21554 6/20 0.36
SRPK1 Q96SB4 3/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 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
SCHEMBL4117067 1.00 CNR2 (0.49) CNR2CNR1SRPK1MEN1KMT2A
SCHEMBL1174868 0.88 CNR2 (0.63) CNR2CNR1MEN1KMT2AKDM4E
SCHEMBL1174873 0.88 CNR2 (0.63) CNR2CNR1MEN1KMT2AKDM4E
SCHEMBL4128374 0.84 CNR2 (0.36) CNR2SRPK1MEN1KMT2AKDM4E
SCHEMBL4128376 0.84 CNR2 (0.36) CNR2SRPK1MEN1KMT2AKDM4E
SCHEMBL4119474 0.84 CNR2 (0.52) CNR2CNR1
SCHEMBL4109327 0.83 CNR2 (0.61) CNR2CNR1
SCHEMBL4115485 0.83 CNR2 (0.47) CNR2CNR1
SCHEMBL4115477 0.83 CNR2 (0.47) CNR2CNR1
SCHEMBL4109323 0.83 CNR2 (0.61) CNR2CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 (1 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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 CNR2 2/4885CNR1 1/4885SRPK1 4200/4885

“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.