SCHEMBL4500439

SCHEMBL4500439

FC(F)(F)Oc1ccccc1-c1cccc(-c2n[nH]c(C3CC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.51
HCRTR1 O43613 10/20 0.51
HCRTR2 O43614 10/20 0.51
TRPA1 O75762 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 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
SCHEMBL1400156 0.82 SCN9A (0.60) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4484585 0.82 SCN9A (0.54) SCN9ATRPA1CYP3A4CYP2D6CYP2C9
SCHEMBL4492897 0.79 SCN9A (0.54) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4482849 0.79 SCN9A (0.59) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4488184 0.78 SCN9A (0.53) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4492039 0.78 SCN9A (0.57) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4484208 0.77 SCN9A (0.54) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4489498 0.77 SCN9A (0.52) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL4498464 0.77 SCN9A (0.56) SCN9AHCRTR1HCRTR2TRPA1CYP3A4
SCHEMBL1400166 0.77 SCN9A (0.65) SCN9ACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
US-7572822-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO. INC. (US) 2009-08-11 US disclosed
EP-1606269-B1 BIARYL SUBSTITUTED TRIAZOLES AS SODIUM CHANNEL BLOCKERS MERCK & CO INC (US) 2008-10-29 EP disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers MERCK SHARP & DOHME LLC 2008-07-17 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-7326726-B2 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. (US) 2008-02-05 US disclosed
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers MERCK & CO., INC. 2006-08-17 US disclosed
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers MERCK SHARP & DOHME LLC 2005-06-02 US 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 (3 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-20080171777-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885HCRTR1 584/4885HCRTR2 450/4885
US-20050119261-A1 Biaryl substituted triazoles as sodium channnel blockers SCN3A, TRPV1, KCNN3 SCN9A 67/4885HCRTR1 456/4885HCRTR2 289/4885
US-20060183897-A1 Biaryl substituted triazoles as sodium channel blockers SCN3A, TRPV1, SCN1B SCN9A 56/4885HCRTR1 584/4885HCRTR2 450/4885

“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.