SCHEMBL3683385

SCHEMBL3683385

CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)O)cc3)oc12.[LiH]

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.57
KCNH2 Q12809 2/20 0.56
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52

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
SCHEMBL2836341 0.99 CETP (0.58) CETPKCNH2ESR1ESR2
SCHEMBL15088548 0.90 CETP (0.58) CETPKCNH2ESR1ESR2
SCHEMBL13204475 0.89 CETP (0.57) CETPKCNH2ESR1ESR2
Lithium Ion SCHEMBL3683380 0.88 CETP (0.56) CETPKCNH2ESR1ESR2
SCHEMBL2831505 0.87 CETP (0.63) CETPKCNH2
SCHEMBL13984543 0.87 CETP (0.62) CETPKCNH2
SCHEMBL3679844 0.85 CETP (0.63) CETP
SCHEMBL2840010 0.84 CETP (0.57) CETPKCNH2
SCHEMBL3807420 0.84 CETP (0.64) CETP
SCHEMBL3643413 0.83 CETP (0.47) CETPKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170058-B1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK SHARP & DOHME (US) 2013-07-03 EP disclosed
US-8445480-B2 CETP inhibitors derived from benzoxazole arylamides MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC (US) 2010-11-25 US disclosed
EP-2170058-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES Merck Sharp & Dohme Corp. (US) 2010-04-07 EP disclosed
WO-2008156715-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES MERCK & CO., INC. (US) 2008-12-24 WO 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-20100298288-A1 CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES CETP, APOB, MTTP CETP 1/4885KCNH2 2428/4885ESR1 3416/4885

“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.