SCHEMBL781736

SCHEMBL781736

CCC(CC)CC1(C(N)=O)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.48
CYP2C19 P33261 1/20 0.35
MME P08473 4/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL727220 0.82 CYP2C19 (0.50) CETPCYP2C19MMEALDH1A1SMN1; SMN2
SCHEMBL810162 0.82 CETP (0.49) CETPCYP2C19MME
SCHEMBL9974581 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL9971636 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL1534074 0.81 CETP (0.48) CETPCYP2C19MME
SCHEMBL11381051 0.80 CYP2C19 (0.38) CETPCYP2C19MMEALDH1A1SMN1; SMN2
SCHEMBL2203045 0.79 CETP (0.47) CETPCYP2C19MME
SCHEMBL9524739 0.78 CYP2C19 (0.36) CETPCYP2C19MMEALDH1A1SMN1; SMN2
SCHEMBL9972631 0.78 CETP (0.47) CETPCYP2C19MME
SCHEMBL1421653 0.78 CETP (0.49) CETPCYP2C19MMEALDH1A1

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1635911-A Self-emulsifying formulations of cholesteryl ester transfer protein inhibitors PFIZER PROD INC (US) 2005-07-06 CN claimed
EP-1305007-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2003-05-02 EP claimed
WO-2002011710-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2002-02-14 WO claimed
CN-107011148-A Method for preparing naphthenic acid 霍夫曼-拉罗奇有限公司 2017-08-04 CN disclosed
US-9603816-B2 Process HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
US-9603816-B2 Process HOFFMANN-LA ROCHE INC. (US) 2017-03-28 US disclosed
EP-2274278-B1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES HOFFMANN LA ROCHE (CH) 2016-08-17 EP disclosed
EP-2274278-B1 NEW PROCESS FOR THE PREPARATIION OF CYCLOHEXANECARBOXYLIC ACID DERICATIVES HOFFMANN LA ROCHE (CH) 2016-08-17 EP disclosed
US-20160200672-A1 NEW PROCESS HOFFMANN-LA ROCHE INC. 2016-07-14 US disclosed
US-20150361034-A1 NEW PROCESS HOFFMANN-LA ROCHE INC. 2015-12-17 US disclosed
EP-2616433-B1 PROCESS FOR PREPARING A CYCLOHEXANECARBONITRILE DERIVATIVE HOFFMANN LA ROCHE (CH) 2015-12-09 EP disclosed
CN-1625397-A Controlled release pharmaceutical dosage forms of a cholesteryl ester transfer protein inhibitor PFIZER PROD INC (US) 2005-06-08 CN disclosed
CN-1545421-A Pharmaceutical composition comprising a low-solubility and/or acid-sensitive drug and a neutralized acidic polymer �Ʒ� 2004-11-10 CN disclosed
EP-1469831-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2004-10-27 EP disclosed
CN-1523979-A Pharmaceutical compositions of adsorbates of amorphous drug �Ʒ� 2004-08-25 CN disclosed
EP-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003063832-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A SOLID AMORPHOUS DISPERSION OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2003-08-07 WO disclosed
EP-1305007-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS Pfizer Products Inc. (US) 2003-05-02 EP disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2002011710-A2 PHARMACEUTICAL COMPOSITIONS OF CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS PFIZER PRODUCTS INC. (US) 2002-02-14 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-20160200672-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 CETP 565/4885CYP2C19 16/4885MME 1044/4885
US-20150361034-A1 NEW PROCESS CYP4A11, UGT1A1, CYP11B1 CETP 565/4885CYP2C19 16/4885MME 1044/4885

“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.