SCHEMBL493173

SCHEMBL493173

COc1ccc(CN2CCC(C(C#N)N(C)C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PTGIR P43119 1/20 0.45
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
ACHE P22303 2/20 0.44
BACE1 P56817 1/20 0.44
POLB P06746 1/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CYP2D6 P10635 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL19582434 0.77 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL493660 0.77 SIGMAR1 (0.58) SIGMAR1SMN1; SMN2MEN1KMT2ACHRM2
SCHEMBL8320248 0.73 HRH3 (0.69) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL8791480 0.73 SIGMAR1 (0.52) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL10834365 0.73 SIGMAR1 (0.64) SIGMAR1SMN1; SMN2MEN1KMT2AACHE
SCHEMBL13202825 0.73 MEN1 (0.67) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR
SCHEMBL19285228 0.72 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL20804352 0.72 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL1043952 0.72 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRPOLBPKM
SCHEMBL8101249 0.72 SIGMAR1 (0.63) SIGMAR1SMN1; SMN2MEN1KMT2APTGIR

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 9 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
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 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
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO 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 (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 SIGMAR1 84/4885SMN1; SMN2 1729/4885MEN1 4132/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A SIGMAR1 78/4885SMN1; SMN2 48/4885MEN1 4243/4885

“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.