SCHEMBL644867

SCHEMBL644867

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)c2ccccc2NCS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 1/20 0.36
BACE1 P56817 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CCR2 P41597 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR4 P51679 1/20 0.35
P2RX7 Q99572 4/20 0.34
CHRM4 P08173 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NPC1 O15118 1/20 0.34
BDKRB1 P46663 2/20 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
SCHEMBL645035 0.93 OPRL1 (0.37) TACR2ALDH1A1CHRM1CCR2CYP3A4
SCHEMBL644579 0.93 CHRM1 (0.41) BACE1KDM4EALDH1A1CHRM1CHRM2
SCHEMBL644812 0.89 L3MBTL1 (0.43) KDM4EALDH1A1BDKRB1
SCHEMBL643251 0.86 CHRM1 (0.41) BACE1KDM4EALDH1A1CHRM1CHRM2
SCHEMBL644868 0.85 KMT2A (0.44) TACR2BACE1ALDH1A1NPC1
SCHEMBL644211 0.83 L3MBTL1 (0.45) ALDH1A1
SCHEMBL644135 0.82 L3MBTL1 (0.42) ALDH1A1
SCHEMBL642958 0.79 KMT2A (0.43) TACR2ALDH1A1CHRM1P2RX7CHRM4
SCHEMBL645036 0.79 KMT2A (0.42) BACE1ALDH1A1CHRM4NPC1
SCHEMBL644808 0.79 LMNA (0.39) KDM4EALDH1A1CHRM1CHRM2CHRM4

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 TACR2 1526/4885BACE1 1627/4885KDM4E 2875/4885

“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.