SCHEMBL4175928

SCHEMBL4175928

c1cc(CN2CCCCC2)cc(C2CCCC[N]2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
PRMT6 Q96LA8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
MBTD1 Q05BQ5 2/20 0.44
L3MBTL3 Q96JM7 2/20 0.44
TP53BP1 Q12888 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
POLB P06746 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4167165 0.96 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL4174723 0.83 HRH3 (0.55) SMN1; SMN2ALDH1A1KDM4ECYP2D6MBTD1
SCHEMBL4170017 0.79 HRH3 (0.56) SMN1; SMN2ALDH1A1KDM4ECYP2D6MBTD1
SCHEMBL13293710 0.78 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL28322724 0.74 PRMT6 (0.55) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL11339852 0.74 PRMT6 (0.78) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL11192726 0.74 PRMT6 (0.78) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL13499190 0.73 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL8219730 0.71 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TDP1PRMT6KDM4E
SCHEMBL8542775 0.70 NOS1 (0.50) ALDH1A1GAACYP2D6CYP2C9CYP2C19

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 SMN1; SMN2 2266/4885ALDH1A1 2655/4885TDP1 2997/4885

“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.