SCHEMBL4984571

SCHEMBL4984571

CC(C)(C)OC(=O)NC1CCCCN(CC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.59
ACE P12821 6/20 0.52
MME P08473 1/20 0.52
F2 P00734 2/20 0.47
F10 P00742 1/20 0.47
PRSS1 P07477 1/20 0.47
CTSL P07711 1/20 0.46
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
FKBP1A P62942 2/20 0.45
XIAP P98170 1/20 0.43
SCN9A Q15858 1/20 0.43
NPY1R P25929 1/20 0.42

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
SCHEMBL4984560 1.00 CASP3 (0.59) CASP3ACEMMEF2F10
SCHEMBL2707948 0.97 CASP3 (0.55) CASP3ACEMMEF2F10
SCHEMBL202944 0.97 CASP3 (0.55) CASP3ACEMMEF2F10
SCHEMBL202943 0.97 CASP3 (0.55) CASP3ACEMMEF2F10
SCHEMBL17948796 0.93 CASP3 (0.50) CASP3ACEMMEF2F10
SCHEMBL12527914 0.86 KMT2A (0.55) CASP3ACEMMEF2F10
SCHEMBL12527916 0.85 KMT2A (0.54) CASP3ACEMMEF2F10
SCHEMBL12494289 0.83 MMP1 (0.55) CASP3ACEMMEF2F10
SCHEMBL12525646 0.83 MMP1 (0.55) CASP3ACEMMEF2F10
SCHEMBL7768791 0.83 KMT2A (0.49) CASP3ACEMMECTSLKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080275025-A1 Substituted Lactams and Their Use as Anti-Cancer Agents NOVARTIS AG 2008-11-06 US disclosed
US-7378410-B2 Substituted lactams and their use as anti-cancer agents NOVARTIS AG (CH) 2008-05-27 US disclosed
US-20060281731-A1 Substituted lactams and their use as anti-cancer agents BAIR, KENNETH WALTER 2006-12-14 US disclosed
EP-1651633-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014574-A1 SUBSTITUTED LACTAMS AND THEIR USE AS ANTI-CANCER AGENTS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-4680392-A Substituted caprolactam derivatives as antihypertensives MERCK & CO., INC. (US) 1987-07-14 US disclosed
US-4629787-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS MERCK & CO., INC. (US) 1986-12-16 US disclosed
EP-0046291-B1 SUBSTITUTED CAPROLACTAM DERIVATIVES AS ANTIHYPERTENSIVES, PROCESS FOR PREPARING THEM, PHARMACEUTICAL COMPOSITION CONTAINING THEM, AND INTERMEDIATES MERCK & CO. INC. (US) 1985-12-27 EP disclosed
EP-0046291-A2 Substituted caprolactam derivatives as antihypertensives, process for preparing them, pharmaceutical composition containing them, and intermediates MERCK & CO. INC. (US) 1982-02-24 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 (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-20060281731-A1 Substituted lactams and their use as anti-cancer agents TOP1, TOP2A, TOP2B CASP3 247/4885ACE 3300/4885MME 3795/4885
US-20080275025-A1 Substituted Lactams and Their Use as Anti-Cancer Agents TOP1, TOP2A, MYC CASP3 107/4885ACE 3345/4885MME 3321/4885

“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.