SCHEMBL3949285

SCHEMBL3949285

O=C1C(=O)N(C/C=C/c2ccc(Cl)c(Cl)c2)c2ccc(OC(F)(F)F)cc21

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 19/20 0.57
ALDH1A1 P00352 1/20 0.51
ALDH2 P05091 1/20 0.51

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
SCHEMBL3949287 1.00 CHRM5 (0.57) CHRM5ALDH1A1ALDH2
SCHEMBL950201 0.79 ALDH1A1 (0.69) CHRM5ALDH1A1ALDH2
SCHEMBL950200 0.79 ALDH1A1 (0.69) CHRM5ALDH1A1ALDH2
SCHEMBL18955215 0.77 CHRM5 (0.67) CHRM5
SCHEMBL13781378 0.75 CHRM5 (0.35) CHRM5
SCHEMBL953500 0.73 ALDH1A1 (0.60) CHRM5ALDH1A1ALDH2
SCHEMBL953499 0.73 ALDH1A1 (0.60) CHRM5ALDH1A1ALDH2
SCHEMBL5426542 0.73 CHRM5 (0.88) CHRM5
SCHEMBL23764661 0.70 CHRM5 (0.67) CHRM5
SCHEMBL18955129 0.70 CHRM5 (0.67) CHRM5

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US claimed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-07-09 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 ASTRAZENECA AB (SE) 2009-03-19 US disclosed
EP-2013216-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3' -INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 AstraZeneca AB (SE) 2009-01-14 EP disclosed
WO-2007091946-A1 USE OF SPIRO [ IMIDAZOLIDINE-4, 3'-INDOLE] 2, 2', 5' (1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091948-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091948-A2 NOVEL SPIRO [IMIDAZOLIDINE-4, 3´-INDOLE] 2, 2´,5´(1H) TRIONES FOR TREATMENT OF CONDITIONS ASSOCIATED WITH VANILLOID RECEPTOR 1 ASTRAZENECA AB (SE) 2007-08-16 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 (2 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-20090176851-A1 Use of Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV2, TRPV3 CHRM5 507/4885ALDH1A1 502/4885ALDH2 1126/4885
US-20090076049-A1 Novel Spiro [Imidazolidine-4, 3' -Indole] 2, 2', 5' (1H) Triones for Treatment of Conditions Associated with Vanilloid Receptor 1 TRPV1, TRPV5, TRPV2 CHRM5 356/4885ALDH1A1 550/4885ALDH2 1318/4885

“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.