SCHEMBL5871318

SCHEMBL5871318

NS(=O)(=O)c1ccc(CCN2CCC(N3CCc4ccccc43)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.56
CA2 P00918 16/20 0.56
CA4 P22748 16/20 0.56
CA9 Q16790 16/20 0.56
CA12 O43570 15/20 0.56
CA5A P35218 15/20 0.56
CA7 P43166 15/20 0.56
CA13 Q8N1Q1 15/20 0.56
CA14 Q9ULX7 15/20 0.56
EP300 Q09472 1/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL5871269 0.89 KCNH2 (0.48) CA1CA2CA4CA9CA12
SCHEMBL5871370 0.85 OPRM1 (0.45) HTR2AHTR2C
SCHEMBL5871127 0.85 SIGMAR1 (0.49) HTR2C
SCHEMBL5871299 0.84 ACHE (0.54) HTR2AHTR2C
SCHEMBL5871247 0.83 CA1 (0.46) CA1CA2CA4CA9CA12
SCHEMBL5871000 0.82 DRD3 (0.47) HTR2AHTR2C
SCHEMBL5871791 0.82 OPRM1 (0.45) HTR2AHTR2C
SCHEMBL5871297 0.82 OPRM1 (0.45)
SCHEMBL5871392 0.82 OPRM1 (0.45)
SCHEMBL5871489 0.82 L3MBTL1 (0.48) HTR2AHTR2C

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP claimed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US claimed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US claimed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP claimed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB CA1 1246/4885CA2 256/4885CA4 731/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CA1 1902/4885CA2 577/4885CA4 1585/4885

“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.