SCHEMBL3553343

SCHEMBL3553343

CC(c1cc(C(F)(F)F)ccc1C=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.43
CETP P11597 6/20 0.39
SERPINE1 P05121 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
EPHX1 P07099 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
SCHEMBL1893337 0.83 TACR1 (0.44) TACR1CETPSERPINE1TRPM8EPHX1
SCHEMBL3554374 0.81 TACR1 (0.42) TACR1CETPSERPINE1TRPM8
SCHEMBL5148340 0.80 TACR1 (0.41) TACR1CETPSERPINE1
SCHEMBL1896131 0.76 TACR1 (0.39) TACR1CETPSERPINE1TRPM8EPHX1
SCHEMBL3729587 0.74 TACR1 (0.43) TACR1CETP
SCHEMBL4183431 0.74 CETP (0.67) CETP
SCHEMBL3729637 0.74 CETP (0.62) CETP
SCHEMBL3552791 0.73 CETP (0.58) CETP
SCHEMBL12133991 0.72 PDE2A (0.41) POLBMAPT
SCHEMBL5147175 0.72 TACR1 (0.46) TACR1SERPINE1

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
EP-1737811-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2016-08-10 EP disclosed
US-8193365-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2012-06-05 US disclosed
US-20100249024-A1 CETP INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-09-30 US disclosed
US-7737295-B2 CETP inhibitors MERCK SHARP & DOHME CORP. (US) 2010-06-15 US disclosed
US-20070225365-A1 Cetp Inhibitors MERCK & CO., INC. (US) 2007-09-27 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-20070225365-A1 Cetp Inhibitors CETP, APOB, NPC1 TACR1 3645/4885CETP 1/4885SERPINE1 108/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 TACR1 3645/4885CETP 1/4885SERPINE1 108/4885

“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.