SCHEMBL642907

SCHEMBL642907

NCC1CCC(C(CCc2ccccc2)N2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.37
CXCR4 P61073 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC18A2 Q05940 1/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A2 P23975 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM3 P20309 1/20 0.35
CCR3 P51677 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
SCHEMBL644459 0.88 POLB (0.40) SLC6A3CXCR4CTSSSIGMAR1TSHR
SCHEMBL493284 0.85 SIGMAR1 (0.41) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL643236 0.81 ACE (0.40) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL646013 0.81 SIGMAR1 (0.41) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL644331 0.80 ALDH1A1 (0.38) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL645172 0.80 ACE (0.41) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL646834 0.77 KDM4E (0.34) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL646835 0.77 KDM4E (0.34) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL2493193 0.77 KDM4E (0.34) SLC6A3SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL5006259 0.76 HSD17B2 (0.42) SLC6A3CYP1A2CYP3A4CYP2D6TSHR

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 3 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
US-20080312231-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2008-12-18 US 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 SLC6A3 935/4885CXCR4 2379/4885CTSS 889/4885

“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.