SCHEMBL1935518

SCHEMBL1935518

CCOC(=O)c1nnc(CN(C)C(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.42
CACNA1B Q00975 1/20 0.42
CACNA1C Q13936 1/20 0.42
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 2/20 0.37
RECQL P46063 1/20 0.37
IGF1R P08069 1/20 0.36
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APLNR P35414 1/20 0.33
HTR2C P28335 1/20 0.32

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
SCHEMBL9256737 0.77 CACNA1G (0.43) CACNA1GCACNA1BCACNA1CALDH1A1KDM4E
SCHEMBL22272512 0.74 KDM4E (0.44) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL9920410 0.73 KDM4E (0.49) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL11947892 0.72 CACNA1G (0.44) CACNA1GCACNA1BCACNA1CALDH1A1KDM4E
SCHEMBL22272842 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL2619110 0.71 CYP1A2 (0.44) CACNA1GCACNA1BCACNA1CALDH1A1KDM4E
SCHEMBL15289937 0.71 ALPL (0.43) CACNA1GCACNA1BCACNA1CALDH1A1KDM4E
SCHEMBL22272845 0.70 KDM4E (0.46) ALDH1A1KDM4EHPGDHTTRECQL
SCHEMBL15289918 0.70 HSD17B10 (0.38) CACNA1GCACNA1BCACNA1CALDH1A1KDM4E
SCHEMBL25497560 0.70 CACNA1G (0.41) CACNA1GCACNA1BCACNA1CAPLNRHTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-8623859-B2 Bradykinin B1 antagonists EVOTEC AG (DE) 2014-01-07 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO 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 (2 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-20140073627-A1 BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CACNA1G 1425/4885CACNA1B 970/4885CACNA1C 1583/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CACNA1G 1247/4885CACNA1B 884/4885CACNA1C 1502/4885

“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.