SCHEMBL4110309

SCHEMBL4110309

Cc1noc(C(NC(=O)c2nc(-c3cc(F)ccc3F)n3c2CN(C)CCC3)C(C)(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.47
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RIPK1 Q13546 1/20 0.33
DPP4 P27487 2/20 0.32
DPP7 Q9UHL4 1/20 0.32
HCRTR1 O43613 1/20 0.32
GABRA5 P31644 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
SCN9A Q15858 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
DGAT2 Q96PD7 1/20 0.31
KIF11 P52732 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 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
SCHEMBL4110304 1.00 CNR2 (0.47) CNR2NPC1RAB9ARIPK1DPP4
SCHEMBL4122075 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL4122082 0.91 CNR2 (0.47) CNR2RIPK1HRH3
SCHEMBL1175444 0.89 CNR2 (0.47) CNR2RIPK1DPP4DPP7HCRTR1
SCHEMBL1175446 0.89 CNR2 (0.47) CNR2RIPK1DPP4DPP7HCRTR1
SCHEMBL4116070 0.89 CNR2 (0.51) CNR2RIPK1HCRTR1TP53THRB
SCHEMBL4116076 0.89 CNR2 (0.51) CNR2RIPK1HCRTR1TP53THRB
SCHEMBL4121083 0.87 CNR2 (0.37) CNR2NPC1RAB9ARIPK1DPP4
SCHEMBL4121091 0.87 CNR2 (0.37) CNR2NPC1RAB9ARIPK1DPP4
SCHEMBL1175901 0.85 CNR2 (0.65) CNR2RIPK1DPP4DPP7TP53

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 2/4885NPC1 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.