SCHEMBL12866699

SCHEMBL12866699

Cc1nnc([C@@H](NC(=O)c2nc(-c3ccccc3)n3c2CCCC3)C(C)(C)C)o1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
CNR2 P34972 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 9/20 0.47
THRB P10828 6/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 3/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL1175437 0.86 CNR2 (0.58) GAACNR2MEN1CYP1A2CYP3A4
SCHEMBL1175441 0.86 CNR2 (0.58) GAACNR2MEN1CYP1A2CYP3A4
SCHEMBL1175541 0.85 CNR2 (0.44) GAACNR2MEN1CYP1A2CYP3A4
SCHEMBL1175537 0.85 CNR2 (0.44) GAACNR2MEN1CYP1A2CYP3A4
SCHEMBL1174239 0.82 CNR2 (0.45) GAACNR2CYP1A2CYP2C9CYP2C19
SCHEMBL1174243 0.82 CNR2 (0.45) GAACNR2CYP1A2CYP2C9CYP2C19
SCHEMBL1174379 0.81 CNR2 (0.45) GAACNR2MEN1KMT2AMAPT
SCHEMBL1174377 0.81 CNR2 (0.45) GAACNR2MEN1KMT2AMAPT
SCHEMBL12866702 0.81 GAA (0.65) GAACNR2MEN1CYP1A2CYP3A4
SCHEMBL10091035 0.78 CNR2 (0.77) GAACNR2MEN1CYP1A2CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859538-B2 Uses of substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2014-10-14 US disclosed
US-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2011-02-10 US 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-20110034443-A1 USES OF SUBSTITUTED IMIDAZOHETEROCYCLES CNR2, CNR1, TRPV1 GAA 3789/4885CNR2 1/4885MEN1 3487/4885

“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.