SCHEMBL494556

SCHEMBL494556

CN1CCN(C(Cc2ccccc2)C2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
MC4R P32245 4/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 2/20 0.43
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 3/20 0.41
GBA1 P04062 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD1 P21728 1/20 0.41
ADRA1D P25100 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL3959438 0.89 SLC6A4 (0.51) IDO1MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL493666 0.86 MC4R (0.48) IDO1MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL493491 0.83 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3GBA1HTR2C
SCHEMBL7783651 0.80 DRD2 (0.53) SLC6A2SLC6A4SLC6A3ADRA1DDRD3
SCHEMBL493178 0.75 CACNA2D1 (0.61) MC4RSLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL22850604 0.72 GBA1 (0.50) SLC6A2SLC6A4SLC6A3GBA1HRH1
SCHEMBL11451845 0.72 GBA1 (0.53) SLC6A2SLC6A4SLC6A3GBA1HRH1
SCHEMBL7607116 0.70 IDO1 (0.71) IDO1MC4RSLC6A2SLC6A4SLC6A3
SCHEMBL7304914 0.69 GBA1 (0.50) SLC6A2SLC6A4SLC6A3GBA1CYP2D6
SCHEMBL15265050 0.69 GBA1 (0.50) SLC6A2SLC6A4SLC6A3GBA1HRH1

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 IDO1 3425/4885MC4R 1542/4885SLC6A2 2372/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A IDO1 3648/4885MC4R 2110/4885SLC6A2 873/4885

“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.