SCHEMBL10091059

SCHEMBL10091059

CC(C)(C)[C@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2)C(=O)NCCF

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
LMNA P02545 2/20 0.36
THRB P10828 2/20 0.36
TP53 P04637 2/20 0.36
GRM2 Q14416 9/20 0.35
KCNK3 O14649 5/20 0.34
CNR1 P21554 1/20 0.34
MAPT P10636 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
SCHEMBL10091001 0.95 CNR2 (0.44) CNR2LMNATHRBTP53CNR1
SCHEMBL10090983 0.93 GRM2 (0.42) CNR2LMNATHRBTP53GRM2
SCHEMBL10091070 0.92 CNR2 (0.43) CNR2LMNATHRBTP53GRM2
SCHEMBL10091052 0.89 CNR2 (0.53) CNR2GRM2KCNK3CNR1
SCHEMBL343239 0.89 CNR2 (0.44) CNR2LMNATHRBTP53CNR1
SCHEMBL343238 0.89 CNR2 (0.44) CNR2LMNATHRBTP53CNR1
SCHEMBL10091068 0.88 CNR2 (0.44) CNR2GRM2KCNK3CNR1
SCHEMBL10091071 0.88 CNR2 (0.46) CNR2GRM2KCNK3CNR1
SCHEMBL10091008 0.87 CNR2 (0.46) CNR2LMNATHRBTP53CNR1
SCHEMBL10091041 0.87 LMNA (0.50) CNR2LMNATHRBTP53

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 2/4885LMNA 4601/4885THRB 1101/4885

“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.