SCHEMBL14828682

SCHEMBL14828682

CC(C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.48
CNR2 P34972 2/20 0.48
GRIN2B Q13224 2/20 0.46
TSHR P16473 1/20 0.45
KDM2B Q8NHM5 2/20 0.44
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HRH3 Q9Y5N1 2/20 0.42
MGAM O43451 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN9A Q15858 1/20 0.41
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
KMT2A Q03164 1/20 0.39

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
SCHEMBL15743806 0.86 CNR1 (0.51) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL2477407 0.85 CNR2 (0.55) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL2475715 0.85 CNR2 (0.55) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL13570410 0.84 CNR2 (0.53) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL14664075 0.83 CNR1 (0.48) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL19688670 0.81 CNR2 (0.46) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL19688671 0.81 CYP3A4 (0.49) CNR1CNR2GRIN2BTSHRGAA
Trifluoroacetic Acid SCHEMBL30345244 0.79 CNR1 (0.49) CNR1CNR2GRIN2BTSHRKDM2B
SCHEMBL25793103 0.79 L3MBTL1 (0.49) ALDH1A1CYP3A4KMT2A
SCHEMBL19688673 0.78 CNR1 (0.46) CNR1CNR2GRIN2BTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130085147-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 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-20130085147-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, GTF3C1 CNR1 4439/4885CNR2 4697/4885GRIN2B 4830/4885

“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.