SCHEMBL342270

SCHEMBL342270

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.56
CNR1 P21554 8/20 0.43
MMP13 P45452 2/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL342271 1.00 CNR2 (0.56) CNR2CNR1MMP13MMP2MMP8
SCHEMBL10091052 0.95 CNR2 (0.53) CNR2CNR1MMP13MMP2MMP8
SCHEMBL10091005 0.93 CNR2 (0.47) CNR2CNR1LMNATP53THRB
SCHEMBL10091010 0.92 CNR2 (0.47) CNR2CNR1LMNATP53THRB
SCHEMBL10091008 0.91 CNR2 (0.46) CNR2CNR1MMP13MMP2MMP8
SCHEMBL10091004 0.91 CNR2 (0.47) CNR2CNR1LMNATP53THRB
SCHEMBL10091013 0.90 CNR2 (0.45) CNR2CNR1LMNATP53THRB
SCHEMBL10091009 0.90 CNR2 (0.43) CNR2MMP13MMP2MMP8LMNA
SCHEMBL10091001 0.89 CNR2 (0.44) CNR2CNR1LMNATP53THRB
SCHEMBL343238 0.89 CNR2 (0.44) CNR2CNR1LMNATP53THRB

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 9 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 claimed
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-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
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
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 1/4885MMP13 2270/4885

“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.