SCHEMBL4436258

SCHEMBL4436258

O=C(Nc1ccc2cccnc2c1)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.77
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MCHR1 Q99705 4/20 0.51
TDO2 P48775 1/20 0.51
HTR2C P28335 1/20 0.50
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
BRAF P15056 1/20 0.48

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
SCHEMBL13863924 0.89 MEN1 (0.73) TRPV1MEN1KMT2ABRAF
SCHEMBL4433389 0.89 TRPV1 (0.82) TRPV1MEN1KMT2AMCHR1HTR2C
SCHEMBL13998408 0.88 TRPV1 (0.59) TRPV1MEN1KMT2AMCHR1
SCHEMBL4433782 0.87 TRPV1 (1.00) TRPV1MEN1KMT2AMCHR1HTR2C
SCHEMBL4425107 0.86 TRPV1 (0.82) TRPV1MEN1KMT2AMCHR1HTR2C
SCHEMBL4430162 0.84 TRPV1 (0.75) TRPV1MEN1KMT2AMCHR1HTR2C
SCHEMBL6363197 0.83 MEN1 (0.64) TRPV1MEN1KMT2ABRAF
SCHEMBL4427373 0.82 TRPV1 (0.78) TRPV1MEN1KMT2AMCHR1HTR2C
SCHEMBL4433847 0.80 MEN1 (0.73) TRPV1MEN1KMT2A
SCHEMBL5934468 0.80 TRPV1 (0.71) TRPV1PTPN1PTPN6PTPN11

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 8 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
US-7538121-B2 Vanilloid receptor modulators GLAXO GROUP LIMITED (GB) 2009-05-26 US disclosed
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
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 TRPV1 1/4885MEN1 3527/4885KMT2A 3992/4885

“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.