SCHEMBL1506730

SCHEMBL1506730

COc1cc(F)c(C(C)C)cc1-c1ccc(C#N)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.75
NR1I2 O75469 1/20 0.72

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
SCHEMBL12833497 0.96 CETP (0.69) CETPNR1I2
SCHEMBL15314636 0.90 CETP (0.61) CETPNR1I2
SCHEMBL1506718 0.89 CETP (0.78) CETPNR1I2
SCHEMBL1506431 0.89 CETP (0.76) CETPNR1I2
SCHEMBL12761545 0.87 CETP (0.72) CETPNR1I2
SCHEMBL1506608 0.86 CETP (0.71) CETPNR1I2
SCHEMBL1506622 0.86 CETP (0.77) CETPNR1I2
SCHEMBL531830 0.86 CETP (1.00) CETPNR1I2
SCHEMBL10242839 0.86 CETP (1.00) CETPNR1I2
SCHEMBL1506391 0.86 CETP (0.78) CETPNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971595-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2013-10-16 EP disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-7910592-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
US-20090042892-A1 Cetp Inhibitors MERCK SHARP & DOHME LLC 2009-02-12 US disclosed
WO-2007081569-A2 CETP INHIBITORS MERCK & CO., INC. (US) 2007-07-19 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-20090042892-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 74/4885

“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.