SCHEMBL1613754

SCHEMBL1613754

O=C(NCC1CCCO1)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.61
CYP2C19 P33261 1/20 0.61
POLB P06746 1/20 0.61
TDP1 Q9NUW8 1/20 0.59
ITGB1 P05556 8/20 0.53
ITGA4 P13612 8/20 0.53

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
SCHEMBL287950 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL1612402 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL1613757 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL1612401 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL1613751 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL289175 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL287949 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL15006559 1.00 CAPN1 (0.61) CAPN1CYP2C19POLBTDP1ITGB1
SCHEMBL1611501 0.88 CYP2C19 (0.54) CAPN1CYP2C19POLBTDP1
SCHEMBL1612997 0.84 CAPN1 (0.67) CAPN1ITGB1ITGA4

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
EP-2427429-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2017-02-15 EP disclosed
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US disclosed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US disclosed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US disclosed
US-8283363-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT LABORATORIES (US) 2012-10-09 US disclosed
US-8236798-B2 Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO. KG (DE) 2012-08-07 US disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
US-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 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 (4 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-20100286146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2C19 2606/4885POLB 3036/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2C19 2606/4885POLB 3036/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2C19 2606/4885POLB 3036/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2C19 2606/4885POLB 3036/4885

“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.