SCHEMBL343536

SCHEMBL343536

CC(C)(C)[C@H](NC(=O)c1nc(-c2cc(F)ccc2F)n2c1CCCCC2)C(=O)N1CCC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.46
TP53 P04637 9/20 0.45
THRB P10828 6/20 0.45
GAA P10253 1/20 0.41
BLM P54132 1/20 0.41
LMNA P02545 4/20 0.40
POLB P06746 2/20 0.40
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL343537 1.00 CNR2 (0.46) CNR2TP53THRBGAABLM
SCHEMBL343393 0.90 CNR2 (0.55) CNR2TP53THRBGAABLM
SCHEMBL343394 0.90 CNR2 (0.55) CNR2TP53THRBGAABLM
SCHEMBL13798846 0.90 CNR2 (0.59) CNR2TP53THRBBLM
SCHEMBL14888115 0.90 CNR2 (0.59) CNR2TP53THRBBLM
SCHEMBL10091039 0.89 CNR2 (0.56) CNR2TP53THRBGAABLM
SCHEMBL10090973 0.87 CNR2 (0.49) CNR2TP53THRBGAABLM
SCHEMBL10091043 0.86 CNR2 (0.49) CNR2TP53THRBGAABLM
SCHEMBL4121005 0.84 CNR2 (0.55) CNR2TP53THRB
SCHEMBL4121009 0.84 CNR2 (0.55) CNR2TP53THRB

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 7 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-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

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 2/4885TP53 4265/4885THRB 1101/4885

“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.