SCHEMBL4429154

SCHEMBL4429154

COCCN1CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.43
CYP3A4 P08684 1/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ROCK1 Q13464 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
HTR1A P08908 3/20 0.39
DRD1 P21728 3/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL16274458 0.86 ALDH1A1 (0.54) CYP3A4MAPTSMN1; SMN2HRH3ROCK1
SCHEMBL2675480 0.84 MAPT (0.48) CYP3A4MAPTSMN1; SMN2ROCK1DRD2
SCHEMBL23455373 0.83 MAPT (0.60) RENCYP3A4MAPTMAPK1NPC1
SCHEMBL15037579 0.82 MAPT (0.42) CYP3A4MAPTMAPK1NPC1RAB9A
SCHEMBL15016540 0.82 HTR7 (0.51) CYP3A4MAPTSMN1; SMN2HRH3DRD2
SCHEMBL30672818 0.82 MAPT (0.55) CYP3A4MAPTMAPK1NPC1RAB9A
SCHEMBL16391111 0.82 MAPT (0.55) CYP3A4MAPTMAPK1NPC1RAB9A
SCHEMBL2062097 0.82 KMT2A (0.38) MAPTMAPK1NPC1RAB9ASMN1; SMN2
SCHEMBL2062235 0.81 GRIN1 (0.44) MAPTSMN1; SMN2HTR1ADRD1DRD2
SCHEMBL23455339 0.80 MAPT (0.49) MAPTMAPK1NPC1RAB9ASMN1; SMN2

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 761/4885MAPT 4119/4885

“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.