SCHEMBL493660

SCHEMBL493660

COc1ccc(CN2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.58
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ACHE P22303 3/20 0.51
BACE1 P56817 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CHRM2 P08172 2/20 0.48
CHRM3 P20309 2/20 0.48
CCR5 P51681 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL10834365 0.85 SIGMAR1 (0.64) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL27936806 0.79 TDP1 (0.44) SIGMAR1MEN1KMT2AACHECCR5
SCHEMBL10736770 0.79 NPC1 (0.59) SIGMAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL30516676 0.78 SIGMAR1 (0.61) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4654022 0.77 MEN1 (0.54) MEN1KMT2AALDH1A1
SCHEMBL493173 0.77 SIGMAR1 (0.49) SIGMAR1MEN1KMT2AACHEBACE1
SCHEMBL4925922 0.77 MEN1 (0.48) SIGMAR1MEN1KMT2AACHEBACE1
Hydrochloric Acid SCHEMBL1326566 0.76 MEN1 (0.53) MEN1KMT2A
SCHEMBL28217942 0.75 SIGMAR1 (1.00) SIGMAR1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8791480 0.74 SIGMAR1 (0.52) SIGMAR1MEN1KMT2AACHEBACE1

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 84/4885MEN1 4132/4885KMT2A 1749/4885
US-20080312231-A1 Substituted Sulfonamide Compounds SULT2A1, SULT1A1, SCN1A SIGMAR1 78/4885MEN1 4243/4885KMT2A 2577/4885

“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.