SCHEMBL2237836

SCHEMBL2237836

CCc1cc(Br)ccc1S(=O)(=O)N(C)Cc1cc(C(=O)NCc2cccc(CN3CCCC3)c2)co1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.42
MLLT1 Q03111 1/20 0.41
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
DDR1 Q08345 2/20 0.38
PTPN1 P18031 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2237543 0.80 CHRM3 (0.45) CHRM3MLLT1CNR1CNR2ALDH1A1
SCHEMBL2237490 0.78 L3MBTL1 (0.40) MLLT1ALDH1A1MAPTDDR1GAA
SCHEMBL1935311 0.75 PTPN1 (0.43) CNR2LMNAALDH1A1DDR1PTPN1
SCHEMBL2236607 0.75 ALDH1A1 (0.35) CNR2LMNAALDH1A1PTPN1HPGD
SCHEMBL2237785 0.73 CHRM3 (0.42) CHRM3MLLT1CNR1CNR2ALDH1A1
SCHEMBL2238958 0.72 TSHR (0.47) MLLT1LMNAALDH1A1MAPTGAA
SCHEMBL1936358 0.72 LMNA (0.41) LMNAALDH1A1MAPTPTPN1GAA
SCHEMBL12346720 0.72 TSHR (0.47) MLLT1LMNAALDH1A1MAPTGAA
SCHEMBL12346722 0.72 TSHR (0.47) MLLT1LMNAALDH1A1MAPTGAA
SCHEMBL12346715 0.71 TSHR (0.47) CHRM3MLLT1LMNAALDH1A1MAPT

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-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US claimed
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2011-08-18 US claimed
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
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 CHRM3 238/4885MLLT1 2664/4885CNR1 86/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 CHRM3 183/4885MLLT1 2856/4885CNR1 83/4885

“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.