SCHEMBL4429953

SCHEMBL4429953

CC1CCc2ccc([N+](=O)[O-])cc2N1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.52
ADRA2A P08913 4/20 0.52
ADRA2B P18089 3/20 0.52
ADRA2C P18825 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
GRIN2B Q13224 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1B1 P15121 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP2 O95551 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
SCHEMBL2857664 0.89 ALDH1A1 (0.52) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL28131203 0.82 ALDH1A1 (0.39) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL29806146 0.80 PNMT (0.42) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL31035846 0.77 ALDH1A1 (0.48) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL257552 0.76 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL6968655 0.76 ALDH1A1 (0.62) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL4017459 0.76 PNMT (0.42) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL2776785 0.76 PNMT (0.43) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL9500788 0.75 ALDH1A1 (0.53) PNMTADRA2AADRA2BADRA2CALDH1A1
SCHEMBL2060515 0.74 CRBN (0.43) PNMTADRA2AADRA2BADRA2CALDH1A1

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 PNMT 1266/4885ADRA2A 47/4885ADRA2B 49/4885

“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.