SCHEMBL1806706

SCHEMBL1806706

O=C(c1cccc(N2CCCC2)n1)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.45
▸ HSD11B1 P28845 7/20 0.45
▸ GNE Q9Y223 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ HSD17B14 Q9BPX1 1/20 0.40
▸ CNR1 P21554 4/20 0.39
▸ FAAH O00519 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ CHRNA7 P36544 1/20 0.38

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
SCHEMBL1810447 0.80 KCNH2 (0.47) HSD11B1CNR1EPHX2
SCHEMBL1807212 0.78 KCNK3 (0.51) SPRHSD11B1EPHX2
SCHEMBL1807793 0.78 SMN1; SMN2 (0.54) SPRCNR2
SCHEMBL1812106 0.76 SPR (0.44) SPREPHX2
SCHEMBL2591255 0.76 HSD11B1 (0.56) HSD11B1GNEHSD17B14
SCHEMBL3478296 0.76 HSD17B14 (0.42) SPRHSD11B1HSD17B14GBA1
SCHEMBL1810013 0.75 PTK2 (0.57) SPRHSD17B10EPHX2HTR1A
SCHEMBL1809531 0.75 SPR (0.51) SPREPHX2
SCHEMBL1806612 0.75 CA12 (0.62) SPRHSD11B1HSD17B10
SCHEMBL12183553 0.75 HSD11B1 (0.55) HSD11B1

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 10 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 claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
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
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO 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 SPR 1986/4885HSD11B1 2985/4885GNE 2256/4885

“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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