SCHEMBL1600104

SCHEMBL1600104

FC(F)(F)c1cc(CN(Cc2cc(C(F)(F)F)ccc2Br)c2nn[nH]n2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CETP P11597 2/20 0.39
TACR1 P25103 5/20 0.38
FFAR2 O15552 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
KCNMA1 Q12791 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIEZO1 Q92508 1/20 0.32

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
SCHEMBL1600260 0.84 ALDH1A1 (0.38) ALDH1A1L3MBTL1CETPTACR1
SCHEMBL4786623 0.82 TACR1 (0.39) ALDH1A1L3MBTL1CETPTACR1FFAR2
SCHEMBL1601211 0.78 CETP (0.39) ALDH1A1L3MBTL1CETPTACR1PTGDR2
SCHEMBL1600532 0.77 CETP (0.43) CETPTACR1
SCHEMBL1587795 0.76 CETP (0.61) CETP
SCHEMBL1600262 0.76 CETP (0.42) ALDH1A1L3MBTL1CETPTACR1FFAR2
SCHEMBL1587778 0.71 IDO1 (0.38) CETPTACR1
SCHEMBL5624651 0.71 CETP (0.34) ALDH1A1L3MBTL1CETPTACR1
SCHEMBL5050175 0.70 TACR1 (0.37) ALDH1A1L3MBTL1CETPTACR1KEAP1
SCHEMBL1588427 0.70 CETP (0.38) CETPTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994015-B1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PROD INC (US) 2013-04-24 EP disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-8383660-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2013-02-26 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
EP-1994015-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS Pfizer Products Inc. (US) 2008-11-26 EP disclosed
WO-2007105049-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
WO-2007105049-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2007-09-20 WO disclosed
US-20070213314-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213314-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 US disclosed
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives PFIZER INC 2007-09-13 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-20070213314-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP ALDH1A1 1853/4885L3MBTL1 748/4885CETP 3/4885
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP ALDH1A1 1853/4885L3MBTL1 748/4885CETP 3/4885

“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.