SCHEMBL1601254

SCHEMBL1601254

CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1cc(C(F)(F)F)ccc1COCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.44
CETP P11597 12/20 0.43
TACR1 P25103 2/20 0.40
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
MGLL Q99685 1/20 0.37
PTGER1 P34995 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL1600884 0.92 GPBAR1 (0.38) GPBAR1CETPTACR1SGMS1SGMS2
SCHEMBL1600292 0.92 PTGDR2 (0.39) GPBAR1CETPMGLLPTGER1PTGDR2
SCHEMBL1601777 0.90 CETP (0.55) CETPPTGDR2
SCHEMBL1600503 0.90 CETP (0.41) CETPTACR1SGMS1SGMS2MGLL
SCHEMBL1599583 0.83 CETP (0.48) CETPPTGDR2
SCHEMBL1600836 0.82 CETP (0.47) CETPPTGDR2
SCHEMBL1601255 0.78 CETP (0.45) GPBAR1CETPPTGDR2
SCHEMBL1601446 0.77 TACR1 (0.41) GPBAR1TACR1MGLL
SCHEMBL1600385 0.77 MGLL (0.40) MGLLPTGER1PTGDR2
SCHEMBL3559191 0.76 GPBAR1 (0.54) GPBAR1CETPTACR1

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 2 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
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 GPBAR1 46/4885CETP 3/4885TACR1 2334/4885

“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.