SCHEMBL645036

SCHEMBL645036

CN(C)C(c1cccc(F)c1)C1CCC(CCNC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
OPRL1 P41146 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 4/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 2/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
ALPG P10696 1/20 0.36
CHRM4 P08173 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
SPPL2A Q8TCT8 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HPGD P15428 1/20 0.35

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
SCHEMBL644868 0.93 KMT2A (0.44) KMT2ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL642958 0.90 KMT2A (0.43) KMT2ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL644136 0.88 L3MBTL1 (0.41) KMT2AOPRL1LMNAALDH1A1SMN1; SMN2
SCHEMBL645035 0.86 OPRL1 (0.37) OPRL1NPC1LMNAALDH1A1CHRM4
SCHEMBL644580 0.85 KMT2A (0.42) KMT2ANPC1LMNAALDH1A1SMN1; SMN2
SCHEMBL643252 0.85 KMT2A (0.42) KMT2ALMNAALDH1A1SMN1; SMN2HTT
SCHEMBL1327983 0.85 P2RX7 (0.42) OPRL1NPC1HPGD
SCHEMBL27751828 0.83 SCD (0.45) OPRL1NPC1CHRM4
SCHEMBL643063 0.82 CXCR3 (0.42) KMT2ALMNAALDH1A1SMN1; SMN2HTT
SCHEMBL642926 0.82 OPRL1 (0.34) KMT2AOPRL1NPC1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP claimed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP claimed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US claimed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8119633-B2 N-{2-[2-(4-benzyl-4-hydroxy-piperidin-1-yl)-2-oxo-ethoxy]-ethyl}-N-ethyl-4-methoxy-2,3,6-trimethyl-phenylsulfonamide; condensing the N-carboxyalkyl phenylsulfonamide with the substituted piperidine; bradykinin receptor antagonists; analgesics; antidiabetics; angiogenesis inhibitors; rheumatic diseases GRUENENTHAL GMBH (DE) 2012-02-21 US disclosed
EP-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 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-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A KMT2A 2577/4885OPRL1 26/4885NPC1 1154/4885

“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.