SCHEMBL493666

SCHEMBL493666

CN1CCN(C(CCc2ccccc2)C2CCNCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.48
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SLC6A2 P23975 1/20 0.47
CCR3 P51677 1/20 0.42
IDO1 P14902 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GBA1 P04062 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39

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 0.86 IDO1 (0.50) MC4RSLC6A4SLC6A3SLC6A2CCR3
SCHEMBL644075 0.79 MC4R (0.44) MC4RCCR3IDO1SIGMAR1KDM4E
SCHEMBL3959438 0.76 SLC6A4 (0.51) MC4RSLC6A4SLC6A3SLC6A2IDO1
SCHEMBL9978780 0.74 GBA1 (0.47) SLC6A4SLC6A3SLC6A2GBA1HRH1
SCHEMBL8971016 0.74 TDP1 (0.41) SLC6A4SLC6A3SLC6A2KDM4EGBA1
SCHEMBL493178 0.73 CACNA2D1 (0.61) MC4RSLC6A4SLC6A3SLC6A2MEN1
SCHEMBL8971090 0.72 ALDH1A1 (0.46) SLC6A4SLC6A3SLC6A2KMT2AGBA1
SCHEMBL646013 0.71 SIGMAR1 (0.41) SLC6A4SLC6A3SLC6A2SIGMAR1KDM4E
SCHEMBL643236 0.71 ACE (0.40) SLC6A4SLC6A3SLC6A2SIGMAR1KDM4E
SCHEMBL7875085 0.71 GBA1 (0.47) SLC6A4SLC6A3SLC6A2KDM4EMEN1

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 MC4R 1542/4885SLC6A4 2704/4885SLC6A3 3945/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A MC4R 2110/4885SLC6A4 349/4885SLC6A3 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.