SCHEMBL1935158

SCHEMBL1935158

CCOC(=O)c1noc(CN(C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC26A6 Q9BXS9 5/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
MMP2 P08253 2/20 0.34
BMP1 P13497 2/20 0.34
KMT2A Q03164 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
APLNR P35414 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL5987499 0.76 HTT (0.38) SLC26A6MMP2BMP1KMT2ATSHR
SCHEMBL23353904 0.75 MAPT (0.38) MMP2BMP1KMT2ATSHRALDH1A1
SCHEMBL6328466 0.74 HTT (0.50) KMT2ATSHRALDH1A1
SCHEMBL14679172 0.73 LMNA (0.57) TSHRALDH1A1
SCHEMBL4489619 0.72 KMT2A (0.40) SLC26A6CACNA1CMMP2BMP1KMT2A
SCHEMBL3214456 0.72 KMT2A (0.43) SLC26A6CACNA1CMMP2BMP1KMT2A
SCHEMBL8906448 0.72 SLC26A6 (0.36) SLC26A6MMP2BMP1KMT2ASLC6A4
SCHEMBL2619110 0.72 CYP1A2 (0.44) CACNA1GCACNA1BCACNA1CKMT2ANFKB1
SCHEMBL12002524 0.71 KMT2A (0.40) SLC26A6CACNA1CMMP2BMP1KMT2A
Hydrochloric Acid SCHEMBL4489615 0.71 KMT2A (0.40) SLC26A6CACNA1CMMP2BMP1KMT2A

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
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-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-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
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

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 SLC26A6 3547/4885CACNA1G 1425/4885CACNA1B 970/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 SLC26A6 3457/4885CACNA1G 1247/4885CACNA1B 884/4885

“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.