SCHEMBL290014

SCHEMBL290014

O=C(O)[C@H]1CCC(=O)N1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
HCRTR1 O43613 2/20 0.51
HCRTR2 O43614 2/20 0.51
KMT2A Q03164 1/20 0.49
SIGMAR1 Q99720 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.44
POLB P06746 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
SCHEMBL1612508 1.00 P2RX7 (0.57) P2RX7HCRTR1HCRTR2KMT2ASIGMAR1
SCHEMBL289453 0.85 P2RX7 (0.60) P2RX7KMT2ASIGMAR1ALDH1A1POLB
SCHEMBL1611778 0.85 P2RX7 (0.60) P2RX7KMT2ASIGMAR1ALDH1A1POLB
SCHEMBL1613647 0.85 GAA (0.58) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL18204743 0.85 GAA (0.58) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL289716 0.85 GAA (0.58) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL10408410 0.83 P2RX7 (0.54) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL16601331 0.83 P2RX7 (0.54) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL19975206 0.83 P2RX7 (0.54) P2RX7HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL289574 0.83 P2RX7 (0.56) P2RX7HCRTR1HCRTR2KMT2AALDH1A1

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 12 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
CN-102482212-A Carboxamide compounds and their use as calpain inhibitors ABBOTT GMBH & CO KG 2012-05-30 CN 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 1852/4885HCRTR1 169/4885HCRTR2 242/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885HCRTR1 169/4885HCRTR2 242/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885HCRTR1 169/4885HCRTR2 242/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 P2RX7 1852/4885HCRTR1 169/4885HCRTR2 242/4885

“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.