SCHEMBL290018

SCHEMBL290018

CN1C[C@H](C(=O)O)N(Cc2ccccc2)C1=O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.60
ACE P12821 9/20 0.49
EHMT2 Q96KQ7 1/20 0.46
BRD4 O60885 1/20 0.45
S1PR5 Q9H228 2/20 0.43
S1PR1 P21453 1/20 0.43
GRM6 O15303 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL290019 1.00 CAPN1 (0.60) CAPN1ACEEHMT2BRD4S1PR5
SCHEMBL12741681 0.81 ACE (0.54) CAPN1ACE
SCHEMBL12741680 0.80 ACE (0.51) CAPN1ACES1PR5S1PR1ALDH1A1
SCHEMBL1637736 0.77 ACE (0.49) CAPN1ACE
SCHEMBL7264101 0.76 ACE (0.53) CAPN1ACEALDH1A1
SCHEMBL7264075 0.76 ACE (0.53) CAPN1ACEALDH1A1
SCHEMBL288871 0.76 CAPN1 (1.00) CAPN1
SCHEMBL289871 0.76 CAPN1 (1.00) CAPN1
SCHEMBL289844 0.76 CAPN1 (1.00) CAPN1
SCHEMBL2535135 0.74 EHMT2 (0.47) CAPN1ACEEHMT2S1PR5S1PR1

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
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
CN-102482212-B Carboxamide compounds and they are as the purposes of calpain inhibitor ABBVIE (US) 2015-08-26 CN 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 CAPN1 1/4885ACE 240/4885EHMT2 2528/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ACE 240/4885EHMT2 2528/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ACE 240/4885EHMT2 2528/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 CAPN1 1/4885ACE 240/4885EHMT2 2528/4885

“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.