SCHEMBL10091026

SCHEMBL10091026

CC1CCn2c(-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 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.49
CCR1 P32246 3/20 0.36
STAT6 P42226 4/20 0.33
LMNA P02545 1/20 0.33
STAT5A P42229 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
GRIN2B Q13224 2/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
GRIN1 Q05586 1/20 0.33
CNR1 P21554 1/20 0.33
DPP4 P27487 1/20 0.33
KCNH2 Q12809 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
RORC P51449 1/20 0.32
CSNK1E P49674 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
SCHEMBL10091085 0.93 CNR2 (0.49) CNR2CCR1STAT6LMNASTAT5A
SCHEMBL10091027 0.91 CNR2 (0.50) CNR2LMNATP53THRBWNT1
SCHEMBL10091015 0.90 CNR2 (0.57) CNR2CNR1
SCHEMBL342662 0.90 CNR2 (0.57) CNR2CNR1
SCHEMBL342663 0.90 CNR2 (0.57) CNR2CNR1
SCHEMBL10091031 0.89 CNR2 (0.48) CNR2LMNATP53THRBWNT1
SCHEMBL10091030 0.89 CNR2 (0.47) CNR2LMNATP53THRBGRIN2B
SCHEMBL10091028 0.88 CNR2 (0.47) CNR2LMNATP53THRBWNT1
SCHEMBL10091025 0.88 CNR2 (0.44) CNR2LMNATP53THRBWNT1
SCHEMBL10091018 0.86 CNR2 (0.46) CNR2LMNATP53THRBWNT1

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 76/4885STAT6 1021/4885

“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.