SCHEMBL10091084

SCHEMBL10091084

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
WDR5 P61964 6/20 0.33
HMGCR P04035 1/20 0.32
CNR1 P21554 2/20 0.32
LMNA P02545 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
TP53 P04637 2/20 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
SCHEMBL10091025 0.92 CNR2 (0.44) CNR2DPP4DPP8DPP9DPP7
SCHEMBL13292579 0.91 CNR2 (0.45) CNR2HMGCRCNR1LMNAGRM5
SCHEMBL10091073 0.89 CNR2 (0.56) CNR2CNR1
SCHEMBL10091087 0.88 CNR2 (0.49) CNR2DPP4DPP8DPP9DPP7
SCHEMBL10091089 0.88 CNR2 (0.47) CNR2HMGCRCNR1LMNAGRM5
SCHEMBL10091088 0.87 CNR2 (0.46) CNR2WDR5CNR1WNT1DYRK1A
SCHEMBL10091085 0.87 CNR2 (0.49) CNR2DPP4DPP8DPP9DPP7
SCHEMBL10090991 0.87 CNR2 (0.46) CNR2HMGCRCNR1LMNATP53
SCHEMBL1175440 0.85 CNR2 (0.60) CNR2DPP4DPP8DPP9DPP7
SCHEMBL1175443 0.85 CNR2 (0.60) CNR2DPP4DPP8DPP9DPP7

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 2/4885DPP4 4594/4885DPP8 4388/4885

“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.