SCHEMBL494162

SCHEMBL494162

CN(C)C(CCc1ccccc1)C1CCC(CNC(=O)COC2CCCN(S(=O)(=O)c3ccccc3)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 1/20 0.40
FAAH O00519 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL493508 0.95 ALDH1A1 (0.42) ALDH1A1GAAMEN1KMT2AFAAH
SCHEMBL492637 0.91 ALDH1A1 (0.45) ALDH1A1GAAMEN1KMT2AFAAH
SCHEMBL494084 0.91 MEN1 (0.46) ALDH1A1GAAMEN1KMT2AFAAH
SCHEMBL493232 0.90 KMT2A (0.44) ALDH1A1GAAMEN1KMT2AFAAH
SCHEMBL492759 0.90 ALDH1A1 (0.44) ALDH1A1GAAMEN1KMT2AFAAH
SCHEMBL492954 0.88 ALDH1A1 (0.41) ALDH1A1GAAMEN1KMT2ACYP2C19
SCHEMBL493833 0.86 KMT2A (0.43) ALDH1A1MEN1KMT2ACYP2C19LMNA
SCHEMBL492987 0.86 KMT2A (0.42) GAAMEN1KMT2AFAAHBCHE
SCHEMBL492631 0.86 POLB (0.48) ALDH1A1GAAMEN1KMT2ALMNA
SCHEMBL493452 0.86 POLB (0.39) ALDH1A1FAAHBCHEACHEPOLB

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 ALDH1A1 1349/4885GAA 445/4885MEN1 4132/4885

“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.