SCHEMBL4174723

SCHEMBL4174723

c1cc(C2CCCC[N]2)ccc1CN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.55
HRH4 Q9H3N8 1/20 0.50
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4170017 0.95 HRH3 (0.56) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4175928 0.83 SMN1; SMN2 (0.49) HRH3ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL4167165 0.78 SMN1; SMN2 (0.50) HRH3ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL7319627 0.77 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL3440556 0.77 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6
Hydrochloric Acid SCHEMBL7329891 0.76 HRH3 (0.64) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4179842 0.76 CYP19A1 (0.39)
SCHEMBL13577677 0.75 HRH3 (0.69) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL4277270 0.74 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4ECYP2D6
SCHEMBL30596544 0.74 HRH3 (0.67) HRH3HRH4ALDH1A1KDM4ECYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US claimed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP claimed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 WO claimed
US-20090227601-A1 Bradykinin 1 Receptor Antagonists AMGEN INC. (US) 2009-09-10 US disclosed
EP-1963285-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS Amgen Inc. (US) 2008-09-03 EP disclosed
WO-2007067629-A1 BRADYKININ 1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2007-06-14 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-20090227601-A1 Bradykinin 1 Receptor Antagonists BDKRB1, BDKRB2, VIPR1 HRH3 14/4885HRH4 9/4885ALDH1A1 2655/4885

“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.