SCHEMBL493491

SCHEMBL493491

c1ccc(CC(C2CCNCC2)N2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 1/20 0.43
GBA1 P04062 1/20 0.41
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
MMP8 P22894 1/20 0.38
CACNA2D1 P54289 1/20 0.38
CACNA1B Q00975 1/20 0.38
CACNB1 Q02641 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
TSHR P16473 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
POLB P06746 2/20 0.37
DPP4 P27487 1/20 0.37
KDM1A O60341 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL494556 0.83 IDO1 (0.50) SLC6A4SLC6A2SLC6A3GBA1KCNH2
SCHEMBL2538651 0.80 MMP8 (0.46) KCNA5KCNH2MMP8TSHRKDM1A
SCHEMBL3959438 0.78 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3KCNH2SIGMAR1
SCHEMBL493273 0.75 CACNA2D1 (0.57) KCNA5CACNA2D1CACNA1BCACNB1
SCHEMBL7783651 0.74 DRD2 (0.53) SLC6A4SLC6A2SLC6A3TSHRSIGMAR1
SCHEMBL2972208 0.74 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3SIGMAR1
SCHEMBL4105450 0.72 KCNA5 (0.46) SLC6A4SLC6A2KCNA5KCNH2MMP8
SCHEMBL643204 0.72 AGTR2 (0.40) MMP8DPP4KDM1A
SCHEMBL11451845 0.72 GBA1 (0.53) SLC6A4SLC6A2SLC6A3GBA1SIGMAR1
SCHEMBL493666 0.70 MC4R (0.48) SLC6A4SLC6A2SLC6A3GBA1KCNH2

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 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 (2 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-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD SLC6A4 2704/4885SLC6A2 2372/4885SLC6A3 3945/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A SLC6A4 349/4885SLC6A2 873/4885SLC6A3 935/4885

“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.