SCHEMBL4881545

SCHEMBL4881545

CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)O)C1c1cccc(Cl)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2C9 P11712 4/20 0.60
KDM4E B2RXH2 3/20 0.60
CYP3A4 P08684 3/20 0.60
CYP2C19 P33261 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GAA P10253 3/20 0.60
TSHR P16473 3/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
KMT2A Q03164 2/20 0.60
HIF1A Q16665 2/20 0.60
HSD17B10 Q99714 2/20 0.60
HPGD P15428 2/20 0.60
ABCB11 O95342 2/20 0.60
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.60
CYP2D6 P10635 1/20 0.60
NFKB1 P19838 1/20 0.60

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
SCHEMBL8199258 0.91 TSHR (0.73) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL4790038 0.89 CYP2C9 (0.58) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL7945527 0.89 LMNA (0.47) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL7210502 0.88 ABCB11 (0.64) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL10721631 0.84 TSHR (0.67) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL7265394 0.82 CYP2C9 (0.82) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL4881550 0.80 PYGL (0.48) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL9121989 0.80 CYP2C9 (0.49) LMNAL3MBTL1CYP2C9KDM4ECYP3A4
SCHEMBL11681868 0.79 PYGL (0.49) CYP2C9KDM4ECYP3A4CYP2C19NPSR1
SCHEMBL10109068 0.79 CYP2C9 (0.70) LMNAL3MBTL1CYP2C9KDM4ECYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5001113-A Di- or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO., INC. (US) 1991-03-19 US claimed
EP-0389127-A1 Renin-inhibitory di-, tri-, and tetrapeptides MERCK & CO. INC. (US) 1990-09-26 EP claimed
EP-0347987-A2 Tripeptide renin inhibitors with N-terminal carbamoyl or acyl groups MERCK & CO. INC. (US) 1989-12-27 EP claimed
EP-0314239-A2 Tripeptide renin inhibitors with N-terminal ureido or sulfamido groups MERCK & CO. INC. (US) 1989-05-03 EP claimed
EP-0312291-A2 Di-or tripeptide renin inhibitors containing lactam conformational restriction in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312158-A2 Tetrapeptide renin inhibitors having novel c-terminal amino acid amide MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312283-A2 Di-or tripeptide renin inhibitors containing lactam conformational restrictions in ACHPA MERCK & CO. INC. (US) 1989-04-19 EP claimed
EP-0312157-A2 Tetrapeptide renin inhibitors having a novel c-terminal amino acid MERCK & CO. INC. (US) 1989-04-19 EP claimed
US-4782043-A HYPOTENSIVES MERCK & CO., INC. (US) 1988-11-01 US claimed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP claimed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 EP claimed
US-20080095841-A1 Pharmaceutical Composition, Method for Producing the Same, and Method for Stabilizing Dihydropyridine Compound in the Pharmaceutical Composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-04-24 US disclosed
EP-1813274-A1 MEDICINAL COMPOSITION, PROCESS FOR PRODUCING THE SAME, AND METHOD OF STABILIZING DIHYDROPYRIDINE COMPOUND IN MEDICINAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2007-08-01 EP disclosed
EP-0804229-B1 USE OF AMLODIPINE, A SALT THEREOF OR FELODIPIN IN COMBINATION WITH AN ACE INHIBITOR IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF NONISCHEMIC CONGESTIVE HEART FAILURE PFIZER (US) 2003-03-26 EP disclosed
US-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents HOGENKAMP HENRICUS P C (US) 2002-04-25 US disclosed
US-4782043-A HYPOTENSIVES MERCK & CO., INC. (US) 1988-11-01 US disclosed
US-4668770-A HYPOTENSIVE, HYPOALDOSTERONISM MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0209897-A2 Peptide enzyme inhibitors MERCK & CO. INC. (US) 1987-01-28 EP disclosed
EP-0163237-A2 Di- and tri-peptidal renin inhibitors MERCK & CO. INC. (US) 1985-12-04 EP disclosed
EP-0129189-A2 Renin inhibitors containing a C-terminal amide cycle and compositions and combinations containing the same MERCK & CO. INC. (US) 1984-12-27 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 (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-20020049155-A1 Cobalamin compounds useful as cardiovascular agents and as imaging agents APOB, MMAB, CBS LMNA 134/4885L3MBTL1 1627/4885CYP2C9 578/4885

“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.