SCHEMBL643236

SCHEMBL643236

O=C1CCC(C(CCc2ccccc2)N2CCCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.40
SLC6A3 Q01959 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MCL1 Q07820 1/20 0.38
TACR1 P25103 1/20 0.38
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SLC18A2 Q05940 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL645172 0.99 ACE (0.41) ACESLC6A3SIGMAR1TSHRKDM4E
SCHEMBL643835 0.88 FKBP1A (0.42) SIGMAR1TSHRCYP1A2CYP3A4CYP2C19
SCHEMBL646013 0.83 SIGMAR1 (0.41) SLC6A3SIGMAR1TSHRKDM4ECYP1A2
SCHEMBL644061 0.83 ACE (0.38) ACESLC6A3SIGMAR1TSHRKDM4E
SCHEMBL644331 0.82 ALDH1A1 (0.38) ACESLC6A3SIGMAR1TSHRKDM4E
SCHEMBL493284 0.82 SIGMAR1 (0.41) ACESLC6A3SIGMAR1TSHRKDM4E
SCHEMBL642907 0.81 SLC6A3 (0.37) SLC6A3SIGMAR1TSHRKDM4ECYP1A2
SCHEMBL644224 0.78 HTT (0.40) ACESLC6A3SIGMAR1TSHR
SCHEMBL646835 0.77 KDM4E (0.34) ACESLC6A3SIGMAR1TSHRKDM4E
SCHEMBL2493193 0.77 KDM4E (0.34) ACESLC6A3SIGMAR1TSHRKDM4E

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 ACE 825/4885SLC6A3 935/4885SIGMAR1 78/4885

“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.