SCHEMBL343239

SCHEMBL343239

CC(C)(C)C(NC(=O)c1nc(-c2ccc(F)c(F)c2)n2c1COCCC2)C(=O)NCCO

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
LMNA P02545 4/20 0.39
TP53 P04637 8/20 0.38
THRB P10828 5/20 0.38
BLM P54132 1/20 0.35
POLB P06746 2/20 0.33
CNR1 P21554 1/20 0.33
PIK3CA P42336 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
GAA P10253 1/20 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
SCHEMBL343238 1.00 CNR2 (0.44) CNR2LMNATP53THRBBLM
SCHEMBL10091001 0.94 CNR2 (0.44) CNR2LMNATP53THRBBLM
SCHEMBL10091008 0.92 CNR2 (0.46) CNR2LMNATP53THRBBLM
SCHEMBL342270 0.89 CNR2 (0.56) CNR2LMNATP53THRBPOLB
SCHEMBL10091005 0.89 CNR2 (0.47) CNR2LMNATP53THRBPOLB
SCHEMBL342271 0.89 CNR2 (0.56) CNR2LMNATP53THRBPOLB
SCHEMBL10091059 0.89 CNR2 (0.42) CNR2LMNATP53THRBCNR1
SCHEMBL10091010 0.89 CNR2 (0.47) CNR2LMNATP53THRBBLM
SCHEMBL10091004 0.87 CNR2 (0.47) CNR2LMNATP53THRBPOLB
SCHEMBL10091070 0.87 CNR2 (0.43) CNR2LMNATP53THRBCNR1

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 4 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-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 2/4885LMNA 4601/4885TP53 4265/4885

“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.