SCHEMBL2238259

SCHEMBL2238259

CNCc1cc(CN2CCCC2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 2/20 0.46
KDM4E B2RXH2 4/20 0.45
SCN8A Q9UQD0 2/20 0.43
SCN1A P35498 1/20 0.43
SCN5A Q14524 1/20 0.43
CHKA P35790 2/20 0.43
HRH4 Q9H3N8 1/20 0.42
SCN1B Q07699 1/20 0.41

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
SCHEMBL1936180 0.80 ALDH1A1 (0.54) ALDH1A1HTTHRH3KDM4ESCN8A
SCHEMBL1934369 0.80 ALDH1A1 (0.65) NCF1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL28636678 0.80 ALDH1A1 (0.65) ALDH1A1HTTSMN1; SMN2POLBHRH3
SCHEMBL2236823 0.79 NCF1 (0.61) NCF1ALDH1A1HTTSMN1; SMN2HRH3
SCHEMBL28192273 0.77 ALDH1A1 (0.96) ALDH1A1HTTSMN1; SMN2POLBHRH3
SCHEMBL1934394 0.77 NCF1 (1.00) NCF1ALDH1A1SMN1; SMN2POLBHRH3
SCHEMBL10203577 0.76 ALDH1A1 (0.56) NCF1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL20238021 0.76 ALDH1A1 (0.60) NCF1ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL12346828 0.76 ALDH1A1 (0.46) ALDH1A1HTT
SCHEMBL13750228 0.76 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2POLBHRH3

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 10 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
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 NCF1 1517/4885ALDH1A1 3283/4885HTT 2939/4885
US-20110201589-A1 NEW BRADYKININ B1 ANTAGONISTS BDKRB1, BDKRB2, BRS3 NCF1 1606/4885ALDH1A1 3363/4885HTT 3144/4885

“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.