SCHEMBL12866702

SCHEMBL12866702

CC(C)(C)[C@H](NC(=O)c1nc(-c2ccccc2)n2c1CCCC2)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
CNR2 P34972 1/20 0.63
THRB P10828 5/20 0.53
LMNA P02545 3/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
TP53 P04637 9/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL10091035 0.90 CNR2 (0.77) GAACNR2THRBLMNAMEN1
SCHEMBL343937 0.89 CNR2 (0.75) GAACNR2THRBLMNAMEN1
SCHEMBL343938 0.89 CNR2 (0.75) GAACNR2THRBLMNAMEN1
SCHEMBL342548 0.89 GAA (0.63) GAACNR2THRBLMNAMEN1
SCHEMBL342547 0.89 GAA (0.63) GAACNR2THRBLMNAMEN1
SCHEMBL344246 0.89 CNR2 (0.63) GAACNR2THRBLMNAMEN1
SCHEMBL344245 0.89 CNR2 (0.63) GAACNR2THRBLMNAMEN1
SCHEMBL12866700 0.88 CNR2 (0.62) GAACNR2THRBLMNAMEN1
SCHEMBL1173950 0.86 CNR2 (0.83) GAACNR2THRBLMNAMEN1
SCHEMBL1173955 0.86 CNR2 (0.83) GAACNR2THRBLMNAMEN1

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 1/4885THRB 2054/4885

“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.