SCHEMBL4433389

SCHEMBL4433389

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.82
MCHR1 Q99705 8/20 0.62
HTR2C P28335 4/20 0.62
PTPN1 P18031 2/20 0.61
PTPN6 P29350 1/20 0.61
PTPN11 Q06124 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC2 Q92769 2/20 0.54
PTPN2 P17706 1/20 0.50
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
PABPC1 P11940 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 1/20 0.47
ABL1 P00519 1/20 0.47
PDGFRB P09619 1/20 0.47
BCR P11274 1/20 0.47
PDGFRA P16234 1/20 0.47

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
SCHEMBL4433782 0.90 TRPV1 (1.00) TRPV1MCHR1HTR2CPTPN1MEN1
SCHEMBL4430162 0.89 TRPV1 (0.75) TRPV1MCHR1HTR2CPTPN1PTPN6
SCHEMBL4427373 0.89 TRPV1 (0.78) TRPV1MCHR1HTR2CPTPN1PTPN6
SCHEMBL4425107 0.89 TRPV1 (0.82) TRPV1MCHR1HTR2CMEN1KMT2A
SCHEMBL4436258 0.89 TRPV1 (0.77) TRPV1MCHR1HTR2CPTPN1PTPN6
SCHEMBL4427397 0.84 TRPV1 (0.73) TRPV1MCHR1HTR2CMEN1KMT2A
SCHEMBL6363727 0.81 KMT2A (0.67) TRPV1MEN1KMT2ANPC1POLB
SCHEMBL4425329 0.81 TRPV1 (0.67) TRPV1MEN1KMT2ANPC1POLB
SCHEMBL27611441 0.80 MCHR1 (0.76) TRPV1MCHR1HTR2CPTPN1PTPN6
SCHEMBL13998573 0.79 TRPV1 (0.69) TRPV1MEN1KMT2ANPC1POLB

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 1/4885MCHR1 266/4885HTR2C 575/4885

“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.