SCHEMBL1613486

SCHEMBL1613486

CONC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 5/20 0.61
CYP2D6 P10635 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2C9 P11712 1/20 0.54
ITGB1 P05556 7/20 0.54
ITGA4 P13612 7/20 0.54
GAA P10253 2/20 0.53
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
P2RX7 Q99572 2/20 0.51
LMNA P02545 1/20 0.51
CYP3A4 P08684 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL1612384 1.00 CAPN1 (0.61) CAPN1CYP2D6CYP2C19CYP2C9ITGB1
SCHEMBL1613000 1.00 CAPN1 (0.61) CAPN1CYP2D6CYP2C19CYP2C9ITGB1
SCHEMBL287971 0.92 CAPN1 (0.70) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1613331 0.92 CAPN1 (0.70) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1613243 0.92 CAPN1 (0.70) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1611973 0.90 CAPN1 (0.61) CAPN1CYP2D6CYP2C19CYP2C9ITGB1
SCHEMBL1612422 0.90 CAPN1 (0.63) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1613371 0.90 CAPN1 (0.63) CAPN1ITGB1ITGA4P2RX7
SCHEMBL289279 0.90 CAPN1 (0.61) CAPN1CYP2D6CYP2C19CYP2C9ITGB1
SCHEMBL1612702 0.90 CAPN1 (0.63) CAPN1ITGB1ITGA4P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-10 US claimed
EP-2516393-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-10-29 EP claimed
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBOTT GMBH & CO. KG (DE) 2011-06-23 US claimed
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US disclosed
US-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V AbbVie Deutschland GmbH & Co. KG (DE) 2015-09-10 US disclosed
US-9051304-B2 Carboxamide compounds and their use as calpain inhibitors V AbbVie Deutschland GmbH & Co. KG (DE) 2015-06-09 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
EP-2516393-B1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBVIE DEUTSCHLAND (DE) 2014-10-29 EP 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-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V ABBOTT GMBH & CO. KG (DE) 2011-06-23 US disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 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 (5 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-20150252017-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 CAPN1 2/4885CYP2D6 2654/4885CYP2C19 3026/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2D6 2751/4885CYP2C19 2606/4885
US-20110152265-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS V CAPN2, CAPN1, CAPNS1 CAPN1 2/4885CYP2D6 2654/4885CYP2C19 3026/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2D6 2751/4885CYP2C19 2606/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885CYP2D6 2751/4885CYP2C19 2606/4885

“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.