SCHEMBL2881829

SCHEMBL2881829

FC(F)(F)c1cc(CNc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.53
RHOC P08134 1/20 0.51
RHOA P61586 1/20 0.51
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
MAOB P27338 1/20 0.48
MTOR P42345 2/20 0.48
PTPN1 P18031 1/20 0.47
PTPRZ1 P23471 1/20 0.47
CACNA1F O60840 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
PTPN5 P54829 1/20 0.46

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
SCHEMBL4242744 0.86 FFAR1 (0.66) FFAR1FFAR4MAOB
SCHEMBL5435247 0.83 FFAR1 (0.62) FFAR1MAOBPTPN1PTPRZ1
SCHEMBL21414907 0.82 HTT (0.53) RHOCRHOAFFAR1FFAR4MTOR
SCHEMBL27616269 0.80 MTOR (0.48) TACR1RHOCRHOAFFAR1FFAR4
SCHEMBL28585261 0.80 RXRA (0.55) TACR1RHOCRHOAFFAR1FFAR4
SCHEMBL10054997 0.80 HTT (0.56) FFAR1MAOBPTPN1
SCHEMBL27312602 0.79 TACR1 (0.67) TACR1RHOCRHOAMYCMAX
SCHEMBL7102889 0.79 FFAR1 (0.62) FFAR1FFAR4PTPN1PTPRZ1
SCHEMBL5605032 0.79 MAPT (0.62) FFAR1FFAR4MAOB
SCHEMBL11168074 0.78 MAPT (0.63) TACR1RHOCRHOAMYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994013639-A1 4-AMINOMETHYL/THIOMETHYL/SULFONYLMETHYL-4-PHENYLPIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1994-06-23 WO claimed
US-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
US-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors MERCK SHARP & DOHME CORP. 2010-07-01 US disclosed
EP-1942904-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Merck & Co., Inc. (US) 2008-07-16 EP disclosed
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
WO-2007041494-A2 CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS MERCK & CO., INC. (US) 2007-04-12 WO 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-20100167986-A1 Cholesteryl Ester Transfer Protein Inhibitors CETP, LCAT, APOB TACR1 3582/4885RHOC 2910/4885RHOA 2898/4885

“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.