SCHEMBL10091013

SCHEMBL10091013

CC(C)(C)[C@H](NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCCC2)C(=O)NC1CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
NR1H4 Q96RI1 5/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
KCNH2 Q12809 4/20 0.36
CYP3A4 P08684 3/20 0.36
PDE4D Q08499 3/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
WNT1 P04628 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
CNR1 P21554 1/20 0.34
KCNK3 O14649 1/20 0.34
PIK3CA P42336 2/20 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
SCHEMBL10091069 0.95 CNR2 (0.42) CNR2NR1H4PDE4APDE4BPDE4C
SCHEMBL10091005 0.90 CNR2 (0.47) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL342270 0.90 CNR2 (0.56) CNR2LMNATP53THRBCNR1
SCHEMBL342271 0.90 CNR2 (0.56) CNR2LMNATP53THRBCNR1
SCHEMBL10091010 0.89 CNR2 (0.47) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL10091048 0.88 CNR2 (0.47) CNR2LMNATP53THRB
SCHEMBL10091008 0.88 CNR2 (0.46) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL10090985 0.88 GRM2 (0.42) CNR2
SCHEMBL10091004 0.88 CNR2 (0.47) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL10090959 0.88 CNR2 (0.47) CNR2LMNATP53THRB

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 2/4885NR1H4 11/4885PDE4A 3761/4885

“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.