SCHEMBL12100617

SCHEMBL12100617

O=C(c1ccc2cccc(O)c2n1)N1CCC(S(=O)(=O)Oc2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.41
▸ MGLL Q99685 4/20 0.40
▸ SCN9A Q15858 6/20 0.40
▸ CACNA1B Q00975 3/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ SCN10A Q9Y5Y9 2/20 0.39
▸ CCKAR P32238 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PKLR P30613 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PRKAA2 P54646 1/20 0.36
▸ SCN7A Q01118 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL1806244 0.88 SCN9A (0.46) HSD11B1MGLLSCN9ACACNA1BAKR1C3
SCHEMBL1810294 0.84 SCN9A (0.45) HSD11B1MGLLSCN9ACACNA1BAKR1C3
SCHEMBL12100616 0.77 METAP1 (0.35) MGLL
SCHEMBL1807553 0.75 SCN9A (0.47) HSD11B1MGLLSCN9ACACNA1BAKR1C3
SCHEMBL1807752 0.74 EPHX2 (0.49) MGLLSCN9APIM1KMT2A
SCHEMBL12099414 0.74 HSD11B1 (0.46) HSD11B1MGLLSCN9ACACNA1B
SCHEMBL12188766 0.73 SPR (0.44) MGLLPIM1KDM4EKMT2A
SCHEMBL1811165 0.73 CCKAR (0.40) SCN9ACCKARPIM1PRKAA2
SCHEMBL1807022 0.72 HRH3 (0.46) PIM1KDM4EKMT2APRKAA2
SCHEMBL1806800 0.72 HRH3 (0.50) PIM1KMT2A

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 2985/4885MGLL 4513/4885SCN9A 20/4885

“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.

Send feedback