SCHEMBL6858362

SCHEMBL6858362

OC(CNc1ccccc1OC(F)(F)F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.43
▸ CETP P11597 5/20 0.41
▸ EPHX2 P34913 2/20 0.39
▸ GBA1 P04062 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ C1R P00736 1/20 0.36
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5670439 0.79 CETP (0.42) CETPRXRARXRBRXRG
SCHEMBL14730903 0.76 PTGS1 (0.40) GAACETPMAPTMEN1KMT2A
SCHEMBL16267445 0.76 PTGS1 (0.40) GAACETPMAPTMEN1KMT2A
SCHEMBL7733811 0.76 GBA1 (0.54) GAAEPHX2GBA1DDB1CRBN
SCHEMBL5671027 0.76 LMNA (0.40) GAACETPMAPTKDM4EALDH1A1
SCHEMBL6235230 0.75 GAA (0.45) GAAEPHX2GBA1DDB1CRBN
SCHEMBL5181270 0.75 SLC5A2 (0.35) GAACETPKMT2A
SCHEMBL5670494 0.74 FAAH (0.42) CETPMEN1KMT2AALDH1A1LMNA
SCHEMBL6748392 0.73 CETP (0.54) GAACETPMAPTALDH1A1
SCHEMBL18622663 0.72 CA12 (0.46) GAAEPHX2GBA1DDB1CRBN

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-6787570-B2 ADMINISTERING AN AROMATIC OR HETEROAROMATIC SUBSTITUTED TERTIARYAMINE COMPOUND TO TREAT ATHEROSCLEROSIS, DYSLIPIDEMIA, AND OTHER CORONARY ARTERY DISEASES PFIZER, INC. 2004-09-07 — — US disclosed
US-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2003-10-09 — — US disclosed
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity G.D. SEARLE & CO. (US) 2001-08-30 — — US disclosed
EP-1115694-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC (TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 — — EP disclosed
WO-2000018723-A1 SUBSTITUTED N-ALIPHATIC-N-AROMATIC TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 — — 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 (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-20030191306-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GAA 1898/4885CETP 1/4885EPHX2 2433/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP GAA 1898/4885CETP 1/4885EPHX2 2433/4885

“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.

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