SCHEMBL4424955

SCHEMBL4424955

O=C(Nc1ccc2c(c1)N(C(=O)C(F)(F)F)CCC2)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 16/20 0.58
MCHR1 Q99705 1/20 0.51
TRPV1 Q8NER1 1/20 0.48
WNT3A P56704 2/20 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
SCHEMBL4434239 0.84 TRPV1 (0.61) CREBBPMCHR1TRPV1WNT3A
SCHEMBL5934183 0.79 RAB9A (0.67) MCHR1TRPV1
SCHEMBL4425080 0.74 CREBBP (0.80) CREBBP
SCHEMBL4435589 0.74 TRPV1 (0.57) CREBBPMCHR1TRPV1WNT3A
SCHEMBL5934869 0.74 RAB9A (0.61) CREBBPMCHR1TRPV1
SCHEMBL4770439 0.73 HRH3 (0.52) MCHR1TRPV1WNT3A
SCHEMBL5934717 0.72 SMN1; SMN2 (0.57) TRPV1
SCHEMBL5934174 0.72 TRPV1 (0.64) TRPV1WNT3A
SCHEMBL2616854 0.72 RAB9A (0.45) CREBBP
SCHEMBL14083021 0.72 CREBBP (0.54) CREBBPMCHR1TRPV1

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 CREBBP 1594/4885MCHR1 266/4885TRPV1 1/4885

“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.