SCHEMBL1600725

SCHEMBL1600725

FC(F)(F)c1cc(CN(Cc2cc(C(F)(F)F)ccc2Cl)c2nnn[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
CETP P11597 9/20 0.35
TACR1 P25103 3/20 0.33
TRAP1 Q12931 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
PIEZO1 Q92508 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
ADRA2A P08913 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
SCHEMBL1601013 0.75 CETP (0.45) CETPTACR1
SCHEMBL5132633 0.73
SCHEMBL14602987 0.73 LTC4S (0.32)
SCHEMBL1601025 0.70 SLC6A4 (0.40) SLC6A4SLC6A2CETPTACR1HTR2A
SCHEMBL4183979 0.69 CETP (0.42) CETPTACR1
SCHEMBL14602923 0.68 S1PR1 (0.32) SLC6A4SLC6A2TACR1
SCHEMBL1600104 0.67 ALDH1A1 (0.44) CETPTACR1PIEZO1MRGPRX4
SCHEMBL1599550 0.65 TACR1 (0.54) SLC6A4SLC6A2TACR1HTR2AKCNH2
SCHEMBL4236353 0.65 SLC6A4 (0.61) SLC6A4SLC6A2HTR2AKCNH2
SCHEMBL1600532 0.64 CETP (0.43) 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 7 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-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
EP-1996564-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES Pfizer Products Incorporated (US) 2008-12-03 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES 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-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 SLC6A4 1459/4885SLC6A2 949/4885CETP 3/4885
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP SLC6A4 1459/4885SLC6A2 949/4885CETP 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.