SCHEMBL15513484

SCHEMBL15513484

O=C(O)NCc1ccc(CN2CCCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.60
CHRM1 P11229 1/20 0.58
HTR2A P28223 1/20 0.58
MCHR1 Q99705 1/20 0.58
NCF1 P14598 1/20 0.57
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 2/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HRH4 Q9H3N8 1/20 0.55
MLLT1 Q03111 1/20 0.53
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
KMT2A Q03164 1/20 0.51

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
SCHEMBL1936053 0.95 NCF1 (0.54) HRH3CHRM1HTR2AMCHR1NCF1
SCHEMBL5500400 0.85 ALDH1A1 (0.68) HRH3CHRM1HTR2AMCHR1NCF1
SCHEMBL27678490 0.84 ALDH1A1 (0.71) HRH3ALDH1A1MLLT1KMT2A
SCHEMBL2236992 0.83 ALDH1A1 (0.65) HRH3CHRM1HTR2AMCHR1NCF1
SCHEMBL22145190 0.82 ALDH1A1 (0.76) CHRM1HTR2AMCHR1ALDH1A1HDAC1
SCHEMBL1936132 0.82 MCHR1 (0.61) HRH3CHRM1HTR2AMCHR1ALDH1A1
SCHEMBL21392801 0.82 NCF1 (0.56) HRH3CHRM1HTR2AMCHR1NCF1
SCHEMBL3440319 0.81 NCF1 (0.58) HRH3CHRM1HTR2AMCHR1NCF1
SCHEMBL13211709 0.79 HDAC1 (0.62) CHRM1HTR2AMCHR1ALDH1A1KDM4E
SCHEMBL1444172 0.79 NCF1 (0.56) HRH3CHRM1HTR2AMCHR1NCF1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140073627-A1 BRADYKININ B1 ANTAGONISTS EVOTEC AG (DE) 2014-03-13 US 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 HRH3 11/4885CHRM1 55/4885HTR2A 949/4885

“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.