SCHEMBL3082979

SCHEMBL3082979

O[C@@H](CN1CCCC1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
KDM4E B2RXH2 4/20 0.69
OPRM1 P35372 1/20 0.69
OPRD1 P41143 1/20 0.69
IGF1R P08069 3/20 0.58
MAOB P27338 1/20 0.56
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MITF O75030 1/20 0.54
RAB9A P51151 1/20 0.54
GFER P55789 1/20 0.54
PAX8 Q06710 1/20 0.54
ATM Q13315 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL6979453 1.00 GAA (0.71) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL1205842 1.00 GAA (0.71) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL12573567 0.98 GAA (0.69) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL8223804 0.98 GAA (0.69) GAAMEN1KMT2AKDM4EOPRM1
Hydrochloric Acid SCHEMBL3089754 0.98 GAA (0.69) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL1460306 0.98 GAA (0.69) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL2796836 0.92 GAA (0.82) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL10746494 0.92 GAA (0.82) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL3976521 0.86 GAA (0.74) GAAMEN1KMT2AKDM4EOPRM1
SCHEMBL679175 0.85 KDM4E (0.55) GAAMEN1KMT2AKDM4EOPRM1

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
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2019-02-14 US disclosed
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SUISSE SA (CH) 2018-11-20 US disclosed
US-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SUISSE SA (CH) 2017-12-07 US disclosed
EP-3034500-A1 Amido thiazole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2016-06-22 EP disclosed
US-7799952-B2 Stereoselective method for the production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2010-09-21 US disclosed
CN-100522970-C Stereoselective method for the production of clopidogrel RATIOPHARM GMBH (DE) 2009-08-05 CN disclosed
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol RATIOPHARM GMBH (DE) 2009-06-11 US disclosed
US-7507827-B2 Stereoselective method for the production of Clopidogrel RATIOPHARM GMBH (DE) 2009-03-24 US disclosed
EP-1737868-B1 STEREOSELECTIVE METHOD FOR THE PRODUCTION OF CLOPIDOGREL RATIOPHARM GMBH (DE) 2008-02-27 EP disclosed
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel RATIOPHARM GMBH (DE) 2007-09-20 US disclosed
CN-1972950-A Stereoselective process for preparing clopidogrel RATIOPHARM GMBH (DE) 2007-05-30 CN disclosed
EP-1589019-A1 Stereoselective process for the preparation of Clopidogrel Ratiopharm GmbH (DE) 2005-10-26 EP 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-20170348296-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB GAA 507/4885MEN1 4380/4885KMT2A 3963/4885
US-20090149677-A1 Stereoselective Method for the Production of (R)-Dimepranol ADH5, ADH1A, ADH1C GAA 2362/4885MEN1 1230/4885KMT2A 3032/4885
US-20190046515-A1 AMIDO THIADIAZOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS NOX1, NOX5, CYBB GAA 507/4885MEN1 4380/4885KMT2A 3963/4885
US-20070219166-A1 Stereoselective Method for the Production of Clopidogrel CYP2C19, ADH1C, TBXA2R GAA 1963/4885MEN1 3470/4885KMT2A 2966/4885
US-10130619-B2 Amido thiadiazole derivatives as NADPH oxidase inhibitors NOX1, NOX5, CYBB GAA 507/4885MEN1 4380/4885KMT2A 3963/4885

“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.