SCHEMBL289561

SCHEMBL289561

COc1cc(CN2C(=O)CC[C@@H]2C(=O)O)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 1/20 0.49
KMT2A Q03164 5/20 0.46
HCRTR1 O43613 6/20 0.46
HCRTR2 O43614 6/20 0.46
TDP1 Q9NUW8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 1/20 0.41
P2RX7 Q99572 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
SCHEMBL289122 1.00 GYS1 (0.49) GYS1KMT2AHCRTR1HCRTR2TDP1
SCHEMBL28020910 0.90 HCRTR1 (0.45) GYS1KMT2AHCRTR1HCRTR2TDP1
SCHEMBL288451 0.87 GYS1 (0.58) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL1612182 0.87 GYS1 (0.58) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL16600994 0.86 KMT2A (0.55) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL10377856 0.86 KMT2A (0.55) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL288266 0.80 P2RX7 (0.48) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL288267 0.80 P2RX7 (0.48) GYS1KMT2AHCRTR1HCRTR2SIGMAR1
SCHEMBL19177602 0.78 ALDH1A1 (0.50) GYS1KMT2AHCRTR1HCRTR2TDP1
SCHEMBL19177604 0.78 ALDH1A1 (0.50) GYS1KMT2AHCRTR1HCRTR2TDP1

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 GYS1 1486/4885KMT2A 1409/4885HCRTR1 169/4885
US-20130150367-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GYS1 1486/4885KMT2A 1409/4885HCRTR1 169/4885
US-20110086879-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GYS1 1486/4885KMT2A 1409/4885HCRTR1 169/4885
US-20150099786-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS CALPAIN INHIBITORS CAPN1, CAPN2, CAPNS1 GYS1 1486/4885KMT2A 1409/4885HCRTR1 169/4885

“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.