SCHEMBL12099414

SCHEMBL12099414

Cn1c(C(=O)N2CCC(S(=O)(=O)Oc3cccc(OC(F)(F)F)c3)CC2)cc2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 3/20 0.46
▸ CACNA1B Q00975 3/20 0.44
▸ MGLL Q99685 1/20 0.39
▸ SCN9A Q15858 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ DRD3 P35462 2/20 0.36
▸ SYK P43405 1/20 0.36
▸ STAT3 P40763 1/20 0.36
▸ MAPK7 Q13164 1/20 0.35

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
SCHEMBL1809430 0.88 CACNA1B (0.50) HSD11B1CACNA1BMGLLSCN9ATP53
SCHEMBL1811520 0.81 CACNA1B (0.50) HSD11B1CACNA1BMGLLSCN9ATP53
SCHEMBL12099411 0.77 CACNA1B (0.33) HSD11B1CACNA1B
SCHEMBL12188744 0.75 HTR2A (0.41) CACNA1BMGLLDRD2
SCHEMBL12100617 0.74 HSD11B1 (0.41) HSD11B1CACNA1BMGLLSCN9A
SCHEMBL1811395 0.72 HTR2A (0.49) HSD11B1MGLLDRD2
SCHEMBL1810763 0.69 AHR (0.49) —
SCHEMBL22516906 0.69 DRD2 (0.48) SCN9ADRD2DRD3SYK
SCHEMBL12188773 0.67 KDM4E (0.45) MGLLTP53DRD2
SCHEMBL22516913 0.67 AHR (0.47) SCN9ATP53DRD2DRD3

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 HSD11B1 2985/4885CACNA1B 17/4885MGLL 4513/4885

“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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