SCHEMBL1601757

SCHEMBL1601757

CS(=O)(=O)ONCc1cc(C(F)(F)F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
KIF11 P52732 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
DDR1 Q08345 1/20 0.34
MMP1 P03956 1/20 0.33
IDO1 P14902 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33

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
SCHEMBL15820309 0.78 KMT2A (0.40) SLC6A4KDM4EMAPTKIF11CA1
SCHEMBL17670630 0.76 SLC6A4 (0.52) SLC6A4HTR2AKCNH2MAPTHDAC3
SCHEMBL1601756 0.75 MMP1 (0.38) KDM4EMAPTKIF11CA1CA2
SCHEMBL18586609 0.74 DAO (0.36) KDM4ETRPV1KIF11CA1CA2
SCHEMBL17742275 0.73 ESR1 (0.40) SLC6A4HTR2AKCNH2MAPTIDO1
SCHEMBL138275 0.73 HTR2A (0.38) SLC6A4HTR2AKCNH2MAPTHDAC3
SCHEMBL3147876 0.72 CYP1A2 (0.42) MAPTHDAC3HDAC1HDAC2HDAC6
SCHEMBL29664091 0.70 CACNA1H (0.46) HDAC3HDAC1HDAC2HDAC6DDR1
SCHEMBL3680986 0.70 IDO1 (0.40) SLC6A4HTR2AKCNH2MAPTIDO1
SCHEMBL4680952 0.70 IDO1 (0.40) KDM4EMAPTIDO1TAS2R14PIEZO1

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 9 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
EP-1994015-A1 DIBENZYL AMINE DERIVATIVES AS CETP INHIBITORS Pfizer Products Inc. (US) 2008-11-26 EP disclosed
WO-2007105050-A1 DIBENZYL AMINE COMPOUNDS AND DERIVATIVES 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-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 CYP19A1 448/4885SLC6A4 1459/4885HTR2A 724/4885
US-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP CYP19A1 448/4885SLC6A4 1459/4885HTR2A 724/4885

“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.