SCHEMBL10091085

SCHEMBL10091085

CC1Cn2c(-c3ccc(F)c(F)c3)nc(C(=O)N[C@H](C(=O)N3CCC3)C(C)(C)C)c2CN1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
CCR1 P32246 2/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN1 Q05586 1/20 0.33
CNR1 P21554 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
STAT6 P42226 4/20 0.32
STAT5A P42229 1/20 0.32
CSNK1E P49674 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32

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
SCHEMBL10091026 0.93 CNR2 (0.49) CNR2CCR1LMNATP53THRB
SCHEMBL10091087 0.90 CNR2 (0.49) CNR2LMNATP53THRBCNR1
SCHEMBL10091073 0.89 CNR2 (0.56) CNR2CNR1
SCHEMBL13292579 0.89 CNR2 (0.45) CNR2LMNATP53THRBCNR1
SCHEMBL10091089 0.88 CNR2 (0.47) CNR2LMNATP53THRBCNR1
SCHEMBL10090991 0.87 CNR2 (0.46) CNR2LMNATP53THRBCNR1
SCHEMBL10091088 0.87 CNR2 (0.46) CNR2GRIN2BCNR1
SCHEMBL10091084 0.87 CNR2 (0.43) CNR2LMNATP53THRBCNR1
SCHEMBL10091086 0.85 CNR2 (0.44) CNR2LMNATP53THRBCNR1
SCHEMBL10091043 0.85 CNR2 (0.49) 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 2/4885CCR1 76/4885LMNA 4601/4885

“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.