SCHEMBL493340

SCHEMBL493340

O=C(COCC1CCCN1S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)NC1CCC(C(CCc2ccccc2)N2CCCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
FKBP1A P62942 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
LOX P28300 1/20 0.34
CCR4 P51679 2/20 0.34
MCHR1 Q99705 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
SCHEMBL493587 0.99 ALDH1A1 (0.37) L3MBTL1ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493548 0.94 MEN1 (0.36) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL493127 0.93 ALDH1A1 (0.36) L3MBTL1ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493272 0.89 FAAH (0.38) ALDH1A1FKBP1A
SCHEMBL493595 0.88 FAAH (0.38) ALDH1A1FKBP1A
SCHEMBL493196 0.88 ALDH1A1 (0.38) L3MBTL1ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493290 0.87 SIGMAR1 (0.36) POLBFKBP1ASIGMAR1RAB9A
SCHEMBL493404 0.86 SMN1; SMN2 (0.38) L3MBTL1ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL493798 0.85 FKBP1A (0.37) ALDH1A1TDP1SMN1; SMN2POLBGAA
SCHEMBL493532 0.84 SMN1; SMN2 (0.39) L3MBTL1ALDH1A1TDP1SMN1; SMN2MEN1

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 L3MBTL1 4753/4885ALDH1A1 1349/4885TDP1 3893/4885

“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.