SCHEMBL10091065

SCHEMBL10091065

Cc1noc([C@@H](NC(=O)c2nc(-c3ccc(F)c(F)c3)n3c2COCC3)C(C)(C)C)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
KCNK3 O14649 7/20 0.36
GRM2 Q14416 7/20 0.35
HDAC4 P56524 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
IDH1 O75874 2/20 0.34
RIPK1 Q13546 1/20 0.33

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
SCHEMBL10091011 0.95 CNR2 (0.40) CNR2KCNK3HDAC4HDAC6IDH1
SCHEMBL10090997 0.93 CNR2 (0.43) CNR2GRM2
SCHEMBL10091050 0.87 TP53 (0.43)
SCHEMBL10090971 0.87 TP53 (0.44)
SCHEMBL4117922 0.86 CNR2 (0.36) CNR2HDAC4HDAC6IDH1RIPK1
SCHEMBL4117926 0.86 CNR2 (0.36) CNR2HDAC4HDAC6IDH1RIPK1
SCHEMBL4116076 0.85 CNR2 (0.51) CNR2HDAC4HDAC6IDH1RIPK1
SCHEMBL4116070 0.85 CNR2 (0.51) CNR2HDAC4HDAC6IDH1RIPK1
SCHEMBL10091029 0.84 CNR2 (0.37) CNR2HDAC4HDAC6IDH1RIPK1
SCHEMBL10091094 0.83 CNR2 (0.36) CNR2GRM2IDH1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-8835422-B2 Substituted imidazoheterocycle derivatives CARA THERAPEUTICS, INC. (US) 2014-09-16 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 US disclosed
US-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2012-01-19 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-20120015930-A1 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CNR1, CNR2, HRH1 CNR2 2/4885KCNK3 1442/4885GRM2 564/4885

“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.