SCHEMBL6599837

SCHEMBL6599837

O=C(N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O)OCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.66
▸ ACE P12821 7/20 0.53
▸ MME P08473 1/20 0.53
▸ F10 P00742 5/20 0.52
▸ DPP4 P27487 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ DPP7 Q9UHL4 1/20 0.51
▸ TACR2 P21452 1/20 0.49

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
SCHEMBL6601810 0.91 CASP3 (0.68) CASP3ACEMMEDPP4KCNH2
SCHEMBL5650545 0.88 CASP3 (0.64) CASP3ACEMME
SCHEMBL14641301 0.88 CASP3 (0.64) CASP3ACEMME
SCHEMBL14603133 0.88 CASP3 (0.64) CASP3ACEMME
SCHEMBL14603132 0.85 CASP3 (0.61) CASP3ACEMME
SCHEMBL14641489 0.85 CASP3 (0.61) CASP3ACEMME
SCHEMBL14603128 0.85 CASP3 (0.61) CASP3ACEMME
SCHEMBL6199732 0.84 CASP3 (0.60) CASP3TACR2
SCHEMBL5645873 0.83 CASP3 (0.56) CASP3ACEMMEKCNH2TACR2
SCHEMBL6394661 0.83 CASP3 (0.58) CASP3ACEMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696328-B2 N-carbobenzyloxy (N-CBZ)-deprotecting enzyme and uses therefor BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 — — US disclosed
US-20090104670-A1 N-carbobenzyloxy (N-CBZ)-deprotecting enzyme and uses therefor BRISTOL-MYERS SQUIBB COMPANY 2009-04-23 — — US disclosed
US-7416876-B2 N-carbobenzyloxy (N-CBZ)-deprotecting enzyme BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-08-26 — — US disclosed
EP-1156803-A4 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL MYERS SQUIBB CO (US) 2004-03-17 — — EP 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
WO-2000047207-A1 LACTAM INHIBITORS OF FXa AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-17 — — 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-20090104670-A1 N-carbobenzyloxy (N-CBZ)-deprotecting enzyme and uses therefor CMBL, BCHE, DNPEP CASP3 3748/4885ACE 132/4885MME 97/4885

“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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