SCHEMBL13413301

SCHEMBL13413301

CC[C@@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CETP P11597 19/20 0.52
NR1I2 O75469 3/20 0.40
KCNN4 O15554 1/20 0.40

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
SCHEMBL13413634 1.00 CETP (0.52) CETPNR1I2KCNN4
SCHEMBL13413237 0.84 CETP (0.50) CETPNR1I2
SCHEMBL13413235 0.84 CETP (0.50) CETPNR1I2
SCHEMBL15744010 0.84 CETP (0.46) CETPNR1I2KCNN4
SCHEMBL15744012 0.84 CETP (0.46) CETPNR1I2KCNN4
SCHEMBL13394559 0.82 CETP (0.47) CETPNR1I2KCNN4
SCHEMBL13394557 0.82 CETP (0.47) CETPNR1I2KCNN4
SCHEMBL22222386 0.81 CETP (0.48) CETPNR1I2
SCHEMBL20794178 0.81 CETP (0.48) CETPNR1I2
SCHEMBL13547529 0.76 CETP (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099716-A1 CETP INHIBITORS MERCK SHARP & DOHME LLC 2010-04-22 US disclosed
US-7652049-B2 1-benzyl-4-[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]imidazolidin-2-one; cholesteryl ester transfer protein inhibitor; raising HDL-cholesterol, reducing LDL-cholesterol; atherosclerosis; antiinflammatory agent; synergistic mixture with other active ingredients MERCK & CO., INC. (US) 2010-01-26 US disclosed
US-20080119476-A1 Cetp Inhibitors ALI AMJAD 2008-05-22 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 (2 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-20080119476-A1 Cetp Inhibitors CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNN4 4403/4885
US-20100099716-A1 CETP INHIBITORS CETP, APOB, MTTP CETP 1/4885NR1I2 67/4885KCNN4 4403/4885

“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.