SCHEMBL1811014

SCHEMBL1811014

O=C(c1cccc2cccnc12)N1CCC(S(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.50
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ CXCR3 P49682 3/20 0.47
▸ CHRM2 P08172 2/20 0.47
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ SPR P35270 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ SLC40A1 Q9NP59 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ HCRTR2 O43614 1/20 0.44
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1811543 0.89 TDP1 (0.50) CCR3HTR2AHTR2CCHRM2MAPT
SCHEMBL1807902 0.84 HTR2A (0.50) CCR3HTR2AHTR2CCHRM2SLC40A1
SCHEMBL1809428 0.81 HTR2A (0.51) CCR3HTR2AHTR2CMAPTTSHR
SCHEMBL1808190 0.80 CCR3 (0.51) CCR3HTR2AHTR2CCXCR3CHRM2
SCHEMBL1807921 0.80 CHRM2 (0.58) CCR3HTR2AHTR2CCXCR3CHRM2
SCHEMBL1809658 0.79 SLC40A1 (0.51) CCR3HTR2AHTR2CCHRM2SLC40A1
SCHEMBL1812106 0.78 SPR (0.44) SPRMAPTMAPK1HTTSMN1; SMN2
SCHEMBL1809531 0.75 SPR (0.51) SPRSMN1; SMN2LMNAL3MBTL1MGLL
SCHEMBL1806612 0.75 CA12 (0.62) SPRMAPTPOLBMGLLALDH1A1
SCHEMBL1807793 0.74 SMN1; SMN2 (0.54) SPRMAPTTSHRMAPK1SMN1; SMN2

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 CCR3 2942/4885HTR2A 661/4885HTR2C 771/4885

“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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