SCHEMBL5166590

SCHEMBL5166590

COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CCC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CETP P11597 20/20 0.58
NR1I2 O75469 1/20 0.54

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
SCHEMBL6110855 0.90 CETP (0.52) CETPNR1I2
SCHEMBL531459 0.85 CETP (0.58) CETPNR1I2
SCHEMBL4011739 0.85 CETP (0.67) CETPNR1I2
Ammonia Solution, Strong SCHEMBL5992875 0.84 CETP (0.57) CETPNR1I2
SCHEMBL4009039 0.83 CETP (0.68) CETPNR1I2
SCHEMBL133988 0.82 CETP (0.60) CETPNR1I2
SCHEMBL17965460 0.82 CETP (0.60) CETPNR1I2
SCHEMBL13413626 0.82 CETP (0.59) CETPNR1I2
SCHEMBL5165509 0.82 CETP (0.54) CETPNR1I2
SCHEMBL3305177 0.81 CETP (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765793-A1 CETP INHIBITORS Merck and Co., Inc. (US) 2007-03-28 EP disclosed
US-20060040999-A1 CETP inhibitors MERCK SHARP & DOHME LLC 2006-02-23 US disclosed
WO-2006014357-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 WO disclosed
WO-2006014413-A1 CETP INHIBITORS MERCK & CO., INC. (US) 2006-02-09 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-20060040999-A1 CETP inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885

“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.