SCHEMBL10091089

SCHEMBL10091089

CC1Cn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)(C)C)c2CN1C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.47
CNR1 P21554 4/20 0.35
CSNK1E P49674 1/20 0.34
HMGCR P04035 1/20 0.33
LMNA P02545 1/20 0.31
KCNA5 P22460 1/20 0.31
GRM5 P41594 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
WNT1 P04628 1/20 0.30
DYRK1A Q13627 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
SCHEMBL10091031 0.92 CNR2 (0.48) CNR2CNR1CSNK1EHMGCRLMNA
SCHEMBL10091073 0.92 CNR2 (0.56) CNR2CNR1
SCHEMBL10091087 0.92 CNR2 (0.49) CNR2CNR1HMGCRLMNAGRM5
SCHEMBL13292579 0.91 CNR2 (0.45) CNR2CNR1CSNK1EHMGCRLMNA
SCHEMBL10091088 0.90 CNR2 (0.46) CNR2CNR1WNT1DYRK1A
SCHEMBL10090991 0.90 CNR2 (0.46) CNR2CNR1HMGCRLMNATP53
SCHEMBL10091086 0.89 CNR2 (0.44) CNR2CNR1HMGCRLMNATP53
SCHEMBL10091092 0.88 CSNK1E (0.38) CNR2CNR1CSNK1EHMGCRLMNA
SCHEMBL10091085 0.88 CNR2 (0.49) CNR2CNR1CSNK1ELMNATP53
SCHEMBL10091084 0.88 CNR2 (0.43) CNR2CNR1HMGCRLMNAGRM5

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 5 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
WO-2010068520-A2 SUBSTITUTED IMIDAZOHETEROCYCLE DERIVATIVES CARA THERAPEUTICS, INC. (US) 2010-06-17 WO 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 2/4885CNR1 1/4885CSNK1E 184/4885

“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.