SCHEMBL6601810

SCHEMBL6601810

O=C(O)CN1CCCC[C@H](NC(=O)OCc2ccccc2)C1=O

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.68
▸ ACE P12821 8/20 0.64
▸ MME P08473 1/20 0.64
▸ TACR2 P21452 1/20 0.50
▸ CASP1 P29466 3/20 0.49
▸ EPHX1 P07099 1/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL5650545 0.97 CASP3 (0.64) CASP3ACEMMECASP1
SCHEMBL14641301 0.97 CASP3 (0.64) CASP3ACEMMECASP1
SCHEMBL14603133 0.97 CASP3 (0.64) CASP3ACEMMECASP1
SCHEMBL6394661 0.92 CASP3 (0.58) CASP3ACEMMECASP1
SCHEMBL6599837 0.91 CASP3 (0.66) CASP3ACEMMETACR2DPP4
SCHEMBL14603132 0.87 CASP3 (0.61) CASP3ACEMMECASP1
SCHEMBL14641489 0.87 CASP3 (0.61) CASP3ACEMMECASP1
SCHEMBL14603128 0.87 CASP3 (0.61) CASP3ACEMMECASP1
SCHEMBL6199732 0.86 CASP3 (0.60) CASP3TACR2CASP1
SCHEMBL8189734 0.84 CASP3 (0.52) CASP3ACECASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 — — EP disclosed
US-20020103335-A1 PEPTIDE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2002-08-01 — — US disclosed
EP-1156803-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-28 — — EP disclosed
US-6297233-B1 Lactam inhibitors of FXa and method BRISTOL-MYERS SQUIBB COMPANY 2001-10-02 — — US disclosed
US-6207644-B1 FOR USE IN TREATING MHC CLASS II DEPENDENT T-CELL MEDIATED AUTOIMMUNE OR INFLAMMATORY DISEASES, SUCH AS RHEUMATOID ARTHRITIS ZENECA LIMITED (GB) 2001-03-27 — — US disclosed
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 — — WO disclosed
EP-0932618-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING AstraZeneca AB (SE) 1999-08-04 — — EP disclosed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 — — EP disclosed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 — — WO disclosed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 — — 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 (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-20020103335-A1 PEPTIDE DERIVATIVES HLA-DRB1, MICA, TAP1 CASP3 1606/4885ACE 708/4885MME 1218/4885

“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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