SCHEMBL1601402

SCHEMBL1601402

FC(F)(F)c1ccc(COCC2CCCCC2)c(CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.38
SCN8A Q9UQD0 2/20 0.36
SCN10A Q9Y5Y9 2/20 0.36
PTGER1 P34995 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
IDO1 P14902 2/20 0.35
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
CSNK1D P48730 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRK1 P41145 1/20 0.33
TACR1 P25103 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
SCHEMBL1600385 0.87 MGLL (0.40) MGLLSCN8ASCN10APTGER1PTGDR2
SCHEMBL29288749 0.80 SCN8A (0.48) MGLLSCN8ASCN10APTGER1PTGDR2
SCHEMBL1600353 0.80 CYP1A2 (0.34) MGLLSCN8ASCN10APTGER1PTGDR2
SCHEMBL1601446 0.80 TACR1 (0.41) MGLLSCN8ASCN10ACSNK1DTACR1
SCHEMBL1601184 0.80 CSNK1D (0.39) MGLLSCN8ASCN10APTGER1PTGDR2
SCHEMBL1601254 0.75 GPBAR1 (0.44) MGLLPTGER1PTGDR2TACR1
SCHEMBL1600503 0.75 CETP (0.41) MGLLTACR1
SCHEMBL1600487 0.74 CETP (0.39) MGLLPTGER1OPRM1OPRL1SLC6A4
SCHEMBL1601777 0.73 CETP (0.55) PTGDR2
SCHEMBL1600292 0.73 PTGDR2 (0.39) MGLLPTGER1PTGDR2SLC6A4SLC6A2

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
US-7919506-B2 Dibenzyl amine compounds and derivatives PFIZER INC. (US) 2011-04-05 US disclosed
WO-2009027785-A2 1, 3-OXAZOLE DERIVATIVES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2009-03-05 WO 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-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 (1 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-20070213371-A1 Dibenzyl Amine Compounds and Derivatives APOB, LDLR, CETP MGLL 179/4885SCN8A 4781/4885SCN10A 4329/4885

“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.