SCHEMBL10091025

SCHEMBL10091025

CC1CCn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C)c2CN1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.44
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
DPP9 Q86TI2 1/20 0.35
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 2/20 0.32
THRB P10828 1/20 0.32
CNR1 P21554 2/20 0.32
WDR5 P61964 1/20 0.31
MCHR1 Q99705 1/20 0.31
CHRM3 P20309 2/20 0.31
CSNK1E P49674 1/20 0.31
GRM5 P41594 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
SCHEMBL10091084 0.92 CNR2 (0.43) CNR2DPP4DPP8DPP7DPP9
SCHEMBL342663 0.89 CNR2 (0.57) CNR2CNR1
SCHEMBL342662 0.89 CNR2 (0.57) CNR2CNR1
SCHEMBL10091015 0.89 CNR2 (0.57) CNR2CNR1
SCHEMBL10091031 0.88 CNR2 (0.48) CNR2WNT1DYRK1ALMNATP53
SCHEMBL10091027 0.88 CNR2 (0.50) CNR2DPP4DPP8DPP7DPP9
SCHEMBL10091030 0.88 CNR2 (0.47) CNR2WNT1DYRK1ALMNAALDH1A1
SCHEMBL10091026 0.88 CNR2 (0.49) CNR2DPP4DPP7WNT1DYRK1A
SCHEMBL13292817 0.87 CNR2 (0.43) CNR2WNT1DYRK1ALMNAGAA
SCHEMBL13292819 0.87 CNR2 (0.43) CNR2WNT1DYRK1ALMNAALDH1A1

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.