SCHEMBL646835

SCHEMBL646835

ON=CC1CCC(C(CCc2ccccc2)N2CCCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ACE P12821 3/20 0.34
SLC6A3 Q01959 1/20 0.34
G6PC1 P35575 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL2493193 1.00 KDM4E (0.34) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL646834 1.00 KDM4E (0.34) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL644037 0.90 ALDH1A1 (0.37) TSHRALDH1A1MAPTSIGMAR1
SCHEMBL644038 0.90 ALDH1A1 (0.37) TSHRALDH1A1MAPTSIGMAR1
SCHEMBL2491899 0.90 ALDH1A1 (0.37) TSHRALDH1A1MAPTSIGMAR1
SCHEMBL644331 0.84 ALDH1A1 (0.38) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL644061 0.79 ACE (0.38) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL493284 0.78 SIGMAR1 (0.41) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL642907 0.77 SLC6A3 (0.37) KDM4ECYP1A2CYP3A4CYP2D6TSHR
SCHEMBL646013 0.77 SIGMAR1 (0.41) KDM4ECYP1A2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KDM4E 2875/4885CYP1A2 185/4885CYP3A4 351/4885

“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.