SCHEMBL1994731

SCHEMBL1994731

O=C(NCCc1ccccc1)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 20/20 1.00

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
SCHEMBL1987892 1.00 CAPN1 (1.00) CAPN1
SCHEMBL1992177 1.00 CAPN1 (1.00) CAPN1
SCHEMBL1987634 0.95 CAPN1 (0.91) CAPN1
SCHEMBL1987635 0.95 CAPN1 (0.91) CAPN1
SCHEMBL1986767 0.92 CAPN1 (1.00) CAPN1
SCHEMBL1986766 0.92 CAPN1 (1.00) CAPN1
SCHEMBL1988918 0.92 CAPN1 (1.00) CAPN1
SCHEMBL1990139 0.91 CAPN1 (1.00) CAPN1
SCHEMBL541067 0.91 CAPN1 (1.00) CAPN1
SCHEMBL1989444 0.90 CAPN1 (0.85) CAPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 US claimed
US-8598211-B2 Carboxamide compounds and their use as calpain inhibitors IV ABBVIE INC. (US) 2013-12-03 US claimed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 US claimed
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 US disclosed
US-8598211-B2 Carboxamide compounds and their use as calpain inhibitors IV ABBVIE INC. (US) 2013-12-03 US disclosed
EP-2516415-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV Abbott GmbH & Co. KG (DE) 2012-10-31 EP disclosed
WO-2011076812-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO disclosed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 US 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-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPNS1, CAPN1 CAPN1 3/4885
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPN1, CAPN9 CAPN1 2/4885

“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.