SCHEMBL3554374

SCHEMBL3554374

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.42
CETP P11597 3/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
AR P10275 2/20 0.37
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
SERPINE1 P05121 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
PTGES O14684 2/20 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 0.82 TACR1 (0.44) TACR1CETPSERPINE1TRPM8
SCHEMBL3553343 0.81 TACR1 (0.43) TACR1CETPSERPINE1TRPM8
SCHEMBL5148340 0.79 TACR1 (0.41) TACR1CETPSERPINE1
SCHEMBL1896131 0.75 TACR1 (0.39) TACR1CETPSERPINE1TRPM8
SCHEMBL3551821 0.74 CETP (0.61) CETP
SCHEMBL3729587 0.74 TACR1 (0.43) TACR1CETP
SCHEMBL3729637 0.73 CETP (0.62) CETP
SCHEMBL4183431 0.73 CETP (0.67) CETP
SCHEMBL2759109 0.71 AR (0.48) TAS2R14AR
SCHEMBL5147175 0.71 TACR1 (0.46) TACR1SERPINE1UBE2MDCUN1D1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885TAS2R14 4220/4885
US-20100249024-A1 CETP INHIBITORS CETP, APOB, NPC1 TACR1 3645/4885CETP 1/4885TAS2R14 4220/4885

“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.