SCHEMBL12100686

SCHEMBL12100686

O=CN1CCC(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1c1cccc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.40
▸ SLC40A1 Q9NP59 7/20 0.39
▸ PPARG P37231 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4D Q08499 1/20 0.35
▸ LIPE Q05469 2/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ SCN9A Q15858 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL12100071 0.91 SLC40A1 (0.48) PRCPSLC40A1PPARGPDE4APDE4B
SCHEMBL1807902 0.75 HTR2A (0.50) SLC40A1PDE4APDE4BPDE4DSCN9A
SCHEMBL12099973 0.72 PDE10A (0.36) SLC40A1SCN9A
SCHEMBL12100127 0.70 MMP9 (0.47) MEN1KMT2ALIPEMMP2MMP9
SCHEMBL12100279 0.69 ELOVL6 (0.38) PPARGSCN9A
SCHEMBL12100616 0.67 METAP1 (0.35) SLC40A1PDE4APDE4BPDE4D
SCHEMBL1809658 0.67 SLC40A1 (0.51) SLC40A1PDE4APDE4BPDE4DSCN9A
SCHEMBL1810294 0.66 SCN9A (0.45) KMT2AMMP2MMP9SCN9A
SCHEMBL2224619 0.64 SCN9A (0.55) MEN1KMT2ASCN9AHTR2A
SCHEMBL12099602 0.63 PSEN1 (0.40) MEN1KMT2AHTR2APSEN1PSEN2

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 PRCP 2994/4885SLC40A1 3806/4885PPARG 1748/4885

“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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