SCHEMBL4121083

SCHEMBL4121083

Cc1noc([C@@H](NC(=O)c2nc(-c3cc(F)ccc3F)n3c2CNCCC3)C(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RIPK1 Q13546 1/20 0.32
SCN9A Q15858 1/20 0.32
DPP4 P27487 2/20 0.31
DPP7 Q9UHL4 1/20 0.31
RPS6KA3 P51812 4/20 0.31
GABRA5 P31644 1/20 0.31
RPS6KA2 Q15349 2/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
NPY5R Q15761 1/20 0.30
DGAT2 Q96PD7 1/20 0.30
PDE2A O00408 1/20 0.30
KCNK3 O14649 1/20 0.30
HCRTR1 O43613 1/20 0.30

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
SCHEMBL4121091 1.00 CNR2 (0.37) CNR2NPC1RAB9ARIPK1SCN9A
SCHEMBL4122263 0.91 CNR2 (0.35) CNR2RIPK1RPS6KA3RPS6KA2
SCHEMBL4122259 0.91 CNR2 (0.35) CNR2RIPK1RPS6KA3RPS6KA2
SCHEMBL1174993 0.89 CNR2 (0.36) CNR2RIPK1RPS6KA3GABRA5RPS6KA2
SCHEMBL1174989 0.89 CNR2 (0.36) CNR2RIPK1RPS6KA3GABRA5RPS6KA2
SCHEMBL4117922 0.88 CNR2 (0.36) CNR2RIPK1RPS6KA3RPS6KA2TP53
SCHEMBL4117926 0.88 CNR2 (0.36) CNR2RIPK1RPS6KA3RPS6KA2TP53
SCHEMBL4110309 0.87 CNR2 (0.47) CNR2NPC1RAB9ARIPK1SCN9A
SCHEMBL4110304 0.87 CNR2 (0.47) CNR2NPC1RAB9ARIPK1SCN9A
SCHEMBL1174150 0.84 CNR2 (0.46) CNR2RIPK1RPS6KA3RPS6KA2TP53

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 7 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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US disclosed
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
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 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 2/4885NPC1 369/4885RAB9A 1653/4885

“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.