SCHEMBL993325

SCHEMBL993325

CC1CCC(N(Cc2cccc(C(F)(F)C(F)(F)F)c2)CC(O)C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.50
SLC6A4 P31645 3/20 0.50
CETP P11597 15/20 0.49
SLC6A3 Q01959 2/20 0.39

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
SCHEMBL994018 0.92 SLC6A2 (0.58) SLC6A2SLC6A4CETPSLC6A3
SCHEMBL992460 0.89 CETP (0.51) SLC6A2SLC6A4CETPSLC6A3
SCHEMBL993382 0.82 CETP (0.49) SLC6A2SLC6A4CETP
SCHEMBL993642 0.82 CETP (0.63) CETP
SCHEMBL994090 0.81 CETP (0.60) SLC6A2SLC6A4CETP
SCHEMBL993039 0.80 SLC6A2 (0.44) SLC6A2SLC6A4CETP
SCHEMBL7039973 0.80 CETP (0.47) CETP
SCHEMBL992166 0.80 CETP (0.58) CETP
SCHEMBL1898984 0.80 CETP (0.44) SLC6A2SLC6A4CETP
SCHEMBL993326 0.79 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3

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 79 patents — showing the first 20. 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 claimed
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 claimed
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 claimed
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2016-12-29 US disclosed
US-9468604-B2 Pharmaceutical compositions of dispersions of drug and neutral polymers BEND RESEARCH, INC. (US) 2016-10-18 US disclosed
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS BEND RESEARCH, INC. (US) 2014-07-31 US disclosed
US-8703199-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8703196-B2 Pharmaceutical compositions of dispersions of amorphous drugs mixed with polymers BEND RESEARCH, INC. (US) 2014-04-22 US disclosed
US-8389011-B2 Pharmaceutical compositions of cholesteryl ester transfer protein inhibitors BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-8389006-B2 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. (US) 2013-03-05 US disclosed
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers BEND RESEARCH, INC. 2012-11-22 US disclosed
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers BEND RESEARCH, INC. 2003-03-20 US disclosed
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug BEND RESEARCH, INC. 2003-03-20 US disclosed
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER INC. 2003-01-30 US disclosed
WO-2003000235-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUGS AND NEUTRAL POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000294-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING A SOLID DISPERSION OF A POORLY-SOLUBLE DRUG IN A MATRIX AND A SOLUBILITY-ENHANCING POLYMER PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000295-A2 SELF-EMULSIFYING FORMULATIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000292-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING LOW-SOLUBILITY AND/OR ACID-SENSITIVE DRUGS AND NEUTRALIZED ACIDIC POLYMERS PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000238-A1 PHARMACEUTICAL COMPOSITIONS OF ADSORBATES OF AMORPHOUS DRUG PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
EP-1269994-A2 Pharmaceutical compositions comprising drug and concentration-enhancing polymers Pfizer Products Inc. (US) 2003-01-02 EP 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 (8 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 SLC6A2 993/4885SLC6A4 1073/4885CETP 1/4885
US-20030054038-A1 Pharmaceutical compositions of drugs and neutralized acidic polymers PDE7A, CA6, PDE9A SLC6A2 305/4885SLC6A4 536/4885CETP 1214/4885
US-20010018446-A1 Substituted N-Aliphatic-N-Aromatictertiary-Heteroalkylamines useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, MTTP SLC6A2 993/4885SLC6A4 1073/4885CETP 1/4885
US-20030054037-A1 Pharmaceutical compositions of adsorbates of amorphous drug ABCG2, ALB, SLCO1A2 SLC6A2 402/4885SLC6A4 668/4885CETP 162/4885
US-20030022944-A1 Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors CETP, LCAT, LIPA SLC6A2 1540/4885SLC6A4 1544/4885CETP 1/4885
US-20160374945-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 SLC6A2 935/4885SLC6A4 1516/4885CETP 227/4885
US-20120295988-A1 Pharmaceutical Compositions of Dispersions of Amorphous Drugs Mixed with Polymers ABCG2, ABCB1, MATR3 SLC6A2 1290/4885SLC6A4 1850/4885CETP 534/4885
US-20140210117-A1 PHARMACEUTICAL COMPOSITIONS OF DISPERSIONS OF DRUG AND NEUTRAL POLYMERS LIPA, ABCG2, ABCB11 SLC6A2 935/4885SLC6A4 1516/4885CETP 227/4885

“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.