SCHEMBL12099616

SCHEMBL12099616

Cn1c(C2CC(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CCN2C=O)cc2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.38
▸ HTR6 P50406 2/20 0.37
▸ FGFR4 P22455 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HCRTR1 O43613 3/20 0.33
▸ HCRTR2 O43614 3/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ ELOVL6 Q9H5J4 1/20 0.32
▸ KDM2B Q8NHM5 1/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ RORC P51449 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ NR3C1 P04150 1/20 0.31

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
SCHEMBL12099411 0.82 CACNA1B (0.33) CACNA1BHTR6HCRTR1HCRTR2HSD11B1
SCHEMBL1811520 0.77 CACNA1B (0.50) CACNA1BHTR6SCN9AHSD11B1HTR2A
SCHEMBL12100071 0.75 SLC40A1 (0.48) PPARG
SCHEMBL12099973 0.75 PDE10A (0.36) CACNA1BHTR6FGFR4SCN9AELOVL6
SCHEMBL12100279 0.74 ELOVL6 (0.38) HTR6SCN9AELOVL6KDM2BPPARG
SCHEMBL12100104 0.72 ALDH1A1 (0.43) SCN9AHCRTR1HCRTR2
SCHEMBL12099936 0.71 NOTUM (0.40) CACNA1BHTR6HSD11B1HTR2AHTR2C
SCHEMBL12099695 0.71 NPY5R (0.36) HCRTR1HCRTR2KCNH2KDM2B
SCHEMBL1809430 0.70 CACNA1B (0.50) CACNA1BHTR6SCN9AHSD11B1HTR2A
SCHEMBL1808102 0.65 CACNA1B (0.48) CACNA1BSCN9AHSD11B1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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 (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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CACNA1B 17/4885HTR6 1298/4885FGFR4 3121/4885

“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.

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