SCHEMBL133801

SCHEMBL133801

Cc1ccnc(-c2ccc(C(F)(F)F)cc2CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(OCCCC(=O)O)cn2)c1.[NaH]

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 11/20 0.47
TACR1 P25103 1/20 0.36
PPARD Q03181 3/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL134468 0.99 CETP (0.48) CETPTACR1PPARDPPARGPPARA
SCHEMBL133800 0.91 CETP (0.41) CETPTACR1GPBAR1ABL1BCR
SCHEMBL132174 0.91 CETP (0.43) CETPTACR1GPBAR1
SCHEMBL130946 0.85 CETP (0.49) CETPTACR1GPBAR1FFAR4
SCHEMBL2080919 0.84 CETP (0.49) CETPPPARDPPARGPPARAFFAR4
SCHEMBL134603 0.84 CETP (0.49) CETPTACR1GPBAR1FFAR4
SCHEMBL1588473 0.84 CETP (0.50) CETPPPARDPPARGPPARAFFAR4
SCHEMBL1588772 0.83 CETP (0.50) CETPTACR1PPARDPPARGPPARA
SCHEMBL12843922 0.81 CETP (0.58) CETP
SCHEMBL12062659 0.81 CETP (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB CETP 1/4885TACR1 3049/4885PPARD 1687/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885TACR1 3049/4885PPARD 1687/4885

“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.