SCHEMBL10091069

SCHEMBL10091069

CC(C)(C)[C@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCC2)C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.42
KCNK3 O14649 5/20 0.38
WNT1 P04628 1/20 0.36
DYRK1A Q13627 1/20 0.36
GRM2 Q14416 6/20 0.35
KCNH2 Q12809 3/20 0.35
NR1H4 Q96RI1 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAP3K14 Q99558 1/20 0.35
CNR1 P21554 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL10091013 0.95 CNR2 (0.45) CNR2KCNK3WNT1DYRK1AKCNH2
SCHEMBL10090985 0.93 GRM2 (0.42) CNR2GRM2
SCHEMBL10091052 0.90 CNR2 (0.53) CNR2KCNK3GRM2CNR1
SCHEMBL10091068 0.89 CNR2 (0.44) CNR2KCNK3GRM2CNR1
SCHEMBL10091071 0.89 CNR2 (0.46) CNR2KCNK3GRM2CNR1PDE4A
SCHEMBL10091070 0.87 CNR2 (0.43) CNR2KCNK3GRM2CNR1
SCHEMBL10091048 0.86 CNR2 (0.47) CNR2
SCHEMBL10091066 0.86 CNR2 (0.45) CNR2KCNK3GRM2
SCHEMBL10091059 0.86 CNR2 (0.42) CNR2KCNK3GRM2CNR1
SCHEMBL10090959 0.86 CNR2 (0.47) CNR2

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 2/4885KCNK3 1442/4885WNT1 550/4885

“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.