SCHEMBL13197409

SCHEMBL13197409

[C-]#[N+]c1cc(C(C)C)c2oc(-c3ccc(C(=O)NC(Cc4ccc(Cl)cc4)C(=O)OC)cc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.45
CDK2 P24941 7/20 0.45
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
LNPEP Q9UIQ6 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
PYGL P06737 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL13197423 1.00 CETP (0.45) CETPCDK2GAARAB9ALNPEP
SCHEMBL13197424 0.89 CETP (0.41) CETPCDK2GAARAB9ALNPEP
SCHEMBL2837376 0.86 CETP (0.61) CETP
SCHEMBL2840610 0.86 CETP (0.61) CETP
SCHEMBL2831774 0.78 CETP (0.63) CETP
SCHEMBL13197422 0.77 ESR1 (0.45) CETPESR1ESR2
SCHEMBL13059849 0.77 CETP (0.43) CETP
SCHEMBL13197459 0.76 CETP (0.76) CETP
SCHEMBL13059646 0.75 ESR2 (0.53) CETPRAB9AESR1ESR2
SCHEMBL2837378 0.75 CETP (0.52) CETP

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-8436028-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP (US) 2013-05-07 US disclosed
US-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC 2010-08-05 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-20100197630-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885CDK2 3859/4885GAA 622/4885

“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.