SCHEMBL4122082

SCHEMBL4122082

Cc1noc(C(NC(=O)c2nc(-c3cc(F)c(F)cc3F)n3c2CN(C)CCC3)C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
RIPK1 Q13546 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
MAP3K14 Q99558 1/20 0.31

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
SCHEMBL4122075 1.00 CNR2 (0.47) CNR2RIPK1HRH3MAP3K14
SCHEMBL4110304 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL1175446 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL1175444 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL4110309 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL4116076 0.89 CNR2 (0.51) CNR2RIPK1
SCHEMBL4116070 0.89 CNR2 (0.51) CNR2RIPK1
SCHEMBL4125404 0.87 CNR2 (0.35) CNR2HRH3
SCHEMBL4125400 0.87 CNR2 (0.35) CNR2HRH3
SCHEMBL4122259 0.87 CNR2 (0.35) CNR2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
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 2/4885RIPK1 1721/4885HRH3 34/4885

“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.