SCHEMBL2287241

SCHEMBL2287241

CCOC(=O)C(Cc1c[nH]c2cccc(C#N)c12)NC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.54
CTSS P25774 4/20 0.54
CTSK P43235 4/20 0.54
CTSL P07711 3/20 0.54
TACR1 P25103 3/20 0.54
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 2/20 0.45
NR3C2 P08235 1/20 0.45
ACE P12821 1/20 0.43
KLK7 P49862 1/20 0.43
SSTR3 P32745 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2287243 1.00 SCN9A (0.54) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL2357912 0.87 CTSS (0.58) CTSSCTSKCTSLTACR1MAPT
SCHEMBL7373169 0.82 NR3C2 (0.46) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL7373170 0.82 NR3C2 (0.46) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL17949554 0.81 TACR1 (0.77) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL31236325 0.81 TACR1 (0.77) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL2286482 0.79 SCN9A (0.48) SCN9ATACR1MAPTSMN1; SMN2NR3C2
SCHEMBL2286478 0.79 SCN9A (0.48) SCN9ATACR1MAPTSMN1; SMN2NR3C2
SCHEMBL31725808 0.77 TACR1 (0.56) SCN9ACTSSCTSKCTSLTACR1
SCHEMBL22734261 0.77 ACE (0.57) SCN9ACTSSCTSKCTSLTACR1

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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-08-18 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-20110201615-A1 TRIAZOLE BETA CARBOLINE DERIVATIVES AS ANTI-DIABETIC AGENTS GPR119, SSTR3, SSTR2 SCN9A 1991/4885CTSS 2611/4885CTSK 2464/4885

“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.