SCHEMBL289453

SCHEMBL289453

O=C(O)C1CCC(=O)N1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.60
KMT2A Q03164 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
GYS1 P13807 1/20 0.50
POLB P06746 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
S1PR1 P21453 3/20 0.49
S1PR5 Q9H228 3/20 0.49
GRK5 P34947 1/20 0.49
CDK8 P49336 1/20 0.49
PTGER4 P35408 4/20 0.48
PTGER3 P43115 3/20 0.48
PTGER2 P43116 2/20 0.48
ATM Q13315 1/20 0.48
PDGFRA P16234 1/20 0.47

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
SCHEMBL1611778 1.00 P2RX7 (0.60) P2RX7KMT2ASIGMAR1GYS1POLB
SCHEMBL1612508 0.85 P2RX7 (0.57) P2RX7KMT2ASIGMAR1POLBALDH1A1
SCHEMBL290014 0.85 P2RX7 (0.57) P2RX7KMT2ASIGMAR1POLBALDH1A1
SCHEMBL288978 0.84 P2RX7 (0.55) P2RX7KMT2ASIGMAR1GYS1ALDH1A1
SCHEMBL1611845 0.84 P2RX7 (0.55) P2RX7KMT2ASIGMAR1GYS1ALDH1A1
SCHEMBL287987 0.83 HCRTR1 (0.58) P2RX7GYS1
SCHEMBL1612232 0.83 HCRTR1 (0.58) P2RX7GYS1
SCHEMBL289327 0.81 CAPN1 (0.69) P2RX7
SCHEMBL1611971 0.81 CAPN1 (0.69) P2RX7
SCHEMBL288870 0.81 CAPN1 (0.69) P2RX7

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 11 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
EP-2427429-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS Abbott GmbH & Co. KG (DE) 2012-03-14 EP disclosed
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2011-04-14 US disclosed
WO-2010128102-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS ABBOTT GMBH & CO. KG (DE) 2010-11-11 WO 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 P2RX7 1852/4885KMT2A 1409/4885SIGMAR1 1745/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885KMT2A 1409/4885SIGMAR1 1745/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885KMT2A 1409/4885SIGMAR1 1745/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885KMT2A 1409/4885SIGMAR1 1745/4885

“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.