SCHEMBL493134

SCHEMBL493134

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCCCC2)CC1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
NR2F2 P24468 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.34
SLC6A12 P48065 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL493228 0.93 MCHR1 (0.37) MCHR1SIGMAR1ALDH1A1SMN1; SMN2TDP1
SCHEMBL493625 0.92 L3MBTL1 (0.36) MCHR1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL494236 0.90 FAAH (0.37) TDP1ATM
SCHEMBL492892 0.89 BDKRB1 (0.39) SIGMAR1ALDH1A1TDP1KMT2APOLB
SCHEMBL493689 0.86 CACNA2D1 (0.37) MCHR1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL492747 0.86 LMNA (0.37) SIGMAR1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL493343 0.85 NAPEPLD (0.37) MCHR1SIGMAR1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL493473 0.84 NAPEPLD (0.37) ALDH1A1TDP1KMT2AMEN1
SCHEMBL493339 0.83 BDKRB1 (0.49)
SCHEMBL492761 0.82 ALDH1A1 (0.39) SIGMAR1ALDH1A1SMN1; SMN2KMT2APOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MCHR1 4667/4885SIGMAR1 84/4885ALDH1A1 1349/4885

“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.