SCHEMBL1611991

SCHEMBL1611991

O=C(NC1CC1)C(=O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1F

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 8/20 0.80
ITGB1 P05556 8/20 0.51
ITGA4 P13612 8/20 0.51
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
P2RX7 Q99572 1/20 0.44

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
SCHEMBL1613248 1.00 CAPN1 (0.80) CAPN1ITGB1ITGA4KMT2ASIGMAR1
SCHEMBL1612803 1.00 CAPN1 (0.80) CAPN1ITGB1ITGA4KMT2ASIGMAR1
SCHEMBL288051 0.91 CAPN1 (0.72) CAPN1ITGB1ITGA4SIGMAR1P2RX7
SCHEMBL288052 0.91 CAPN1 (0.72) CAPN1ITGB1ITGA4SIGMAR1P2RX7
SCHEMBL289537 0.91 CAPN1 (0.72) CAPN1ITGB1ITGA4SIGMAR1P2RX7
SCHEMBL289787 0.91 CAPN1 (0.72) CAPN1ITGB1ITGA4SIGMAR1P2RX7
SCHEMBL288920 0.90 CAPN1 (0.77) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1613533 0.90 CAPN1 (0.77) CAPN1ITGB1ITGA4P2RX7
SCHEMBL1613008 0.90 CAPN1 (0.77) CAPN1ITGB1ITGA4P2RX7
SCHEMBL289375 0.89 CAPN1 (0.77) CAPN1ITGB1ITGA4KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527811-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2016-12-27 US claimed
US-9018206-B2 Carboxamide compounds and their use as calpain inhibitors AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-28 US claimed
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2015-04-09 US claimed
US-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV AbbVie Deutschland GmbH & Co. KG (DE) 2014-06-26 US claimed
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT LABORATORIES (US) 2013-06-13 US claimed
EP-2516415-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV Abbott GmbH & Co. KG (DE) 2012-10-31 EP claimed
WO-2011076812-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-30 WO claimed
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV ABBOTT GMBH & CO. KG (DE) 2011-06-23 US claimed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 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-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-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
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-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV 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-20140179702-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPNS1, CAPN1 CAPN1 3/4885ITGB1 4745/4885ITGA4 4491/4885
US-20110152325-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS IV CAPN2, CAPN1, CAPN9 CAPN1 2/4885ITGB1 4761/4885ITGA4 4506/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ITGB1 4712/4885ITGA4 4800/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ITGB1 4712/4885ITGA4 4800/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ITGB1 4712/4885ITGA4 4800/4885

“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.