SCHEMBL4436018

SCHEMBL4436018

COCCN1CCCc2ccc(N)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 8/20 0.52
CYP3A4 P08684 4/20 0.50
KLKB1 P03952 1/20 0.44
HRH3 Q9Y5N1 2/20 0.43
BRD4 O60885 1/20 0.43
ATAD2 Q6PL18 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL25804417 0.89 KMT2A (0.44) RENCYP3A4KLKB1HRH3ATAD2
SCHEMBL13998593 0.85 HRH3 (0.46) RENCYP3A4KLKB1HRH3BRD4
SCHEMBL16274465 0.84 KMT2A (0.60) RENCYP3A4HRH3BRD4ATAD2
SCHEMBL28805650 0.83 HDAC1 (0.53) RENCYP3A4HRH3BRD4HDAC1
SCHEMBL15037979 0.81 HRH3 (0.51) RENCYP3A4HRH3BRD4ATAD2
SCHEMBL20544210 0.81 BRD4 (0.49) RENCYP3A4HRH3BRD4ATAD2
SCHEMBL554421 0.81 KLKB1 (0.45) RENCYP3A4KLKB1HRH3KMT2A
SCHEMBL6683534 0.80 HRH3 (0.51) RENCYP3A4HRH3BRD4ATAD2
SCHEMBL15037986 0.80 HRH3 (0.56) RENCYP3A4HRH3BRD4ATAD2
SCHEMBL2674785 0.80 ALDH1A1 (0.52) RENCYP3A4HRH3BRD4ATAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
EP-2033953-A1 Vanilloid receptor modulators Glaxo Group Limited (GB) 2009-03-11 EP disclosed
US-20060142333-A1 Vanilloid receptor modulators MACDONALD GREGOR J 2006-06-29 US disclosed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP disclosed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 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-20060142333-A1 Vanilloid receptor modulators TRPV1, NPSR1, TRPV3 REN 314/4885CYP3A4 761/4885KLKB1 2657/4885

“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.