SCHEMBL1936053

SCHEMBL1936053

O=C(O)NCc1ccc(CN2CCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.54
HTR1A P08908 1/20 0.54
HTR7 P34969 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CHRM1 P11229 1/20 0.52
HTR2A P28223 1/20 0.52
MCHR1 Q99705 1/20 0.52
MLLT1 Q03111 3/20 0.52
MLLT3 P42568 1/20 0.52
YEATS2 Q9ULM3 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
DRD4 P21917 1/20 0.51
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49

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
SCHEMBL15513484 0.95 HRH3 (0.60) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL27678490 0.85 ALDH1A1 (0.71) ALDH1A1MLLT1HRH3KMT2A
SCHEMBL2236992 0.81 ALDH1A1 (0.65) NCF1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL1936132 0.80 MCHR1 (0.61) HDAC1HDAC8HDAC6ALDH1A1CHRM1
SCHEMBL21392801 0.80 NCF1 (0.56) NCF1HTR1AHTR7HDAC1HDAC8
SCHEMBL5500400 0.80 ALDH1A1 (0.68) NCF1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL11533429 0.79 CYP2C9 (0.65) HDAC1HDAC6ALDH1A1MEN1KMT2A
SCHEMBL3440319 0.79 NCF1 (0.58) NCF1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL26096917 0.78 ALDH1A1 (0.62) ALDH1A1
SCHEMBL22145190 0.77 ALDH1A1 (0.76) HTR1AHTR7HDAC1HDAC8HDAC6

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 3 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
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 (1 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 1517/4885HTR1A 298/4885HTR7 1284/4885

“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.