SCHEMBL12355261

SCHEMBL12355261

CN(CC(=O)NNC(=O)CCl)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PRSS1 P07477 1/20 0.31
TPSAB1 Q15661 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL6526008 0.79 HDAC6 (0.34) APLNRCA14PRSS1TPSAB1HDAC1
SCHEMBL1105464 0.79 HDAC6 (0.34) APLNRCA14PRSS1TPSAB1HDAC1
SCHEMBL30689193 0.78 CA14 (0.31) APLNRCA14
SCHEMBL23975780 0.77 POLB (0.37) CA14NPC1PRSS1TPSAB1MAPT
SCHEMBL4162171 0.77 HDAC6 (0.33) APLNRCA14PRSS1TPSAB1HDAC1
SCHEMBL22428345 0.77 CA14 (0.40) CA14ALDH1A1HDAC1HDAC2HDAC6
SCHEMBL17832808 0.76 CA14 (0.36) CA14PRSS1TPSAB1HDAC1HDAC2
SCHEMBL13921016 0.75 SIGMAR1 (0.39) CA14PRSS1TPSAB1HDAC1HDAC2
SCHEMBL8572055 0.75 PRSS1 (0.39) CA14PRSS1TPSAB1HDAC1HDAC2
SCHEMBL27604797 0.75 GLS (0.50) ALDH1A1KDM4EHDAC1HDAC2

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 4 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-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
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 APLNR 707/4885CA14 4394/4885ALDH1A1 3283/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 APLNR 706/4885CA14 4263/4885ALDH1A1 3363/4885

“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.