SCHEMBL493829

SCHEMBL493829

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)COCc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.42
EPHX2 P34913 2/20 0.40
DPP4 P27487 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 1/20 0.40
GAA P10253 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL493561 0.86 SMYD3 (0.48) EPHX2EPHX1OPRM1OPRL1SIGMAR1
SCHEMBL492991 0.84 EPHX2 (0.43) EPHX2ALDH1A1EPHX1OPRM1OPRL1
SCHEMBL493559 0.84 EPHX2 (0.43) EPHX2ALDH1A1EPHX1OPRM1OPRL1
SCHEMBL493719 0.83 ATF4 (0.60) ALDH1A1SMN1; SMN2
SCHEMBL492965 0.83 L3MBTL1 (0.45) L3MBTL1ATMEPHX2DPP4DPP7
SCHEMBL492989 0.80 RAB9A (0.43) L3MBTL1EPHX2DPP4DPP7ALDH1A1
SCHEMBL493096 0.78 LMNA (0.45) L3MBTL1ATMDPP4DPP7ALDH1A1
SCHEMBL493440 0.78 TSHR (0.48) ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL1328539 0.77 MCHR1 (0.54) ATMALDH1A1OPRM1SIGMAR1SMN1; SMN2
SCHEMBL4875473 0.76 EPHX2 (0.65) L3MBTL1ATMEPHX2ALDH1A1EPHX1

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 4753/4885ATM 1904/4885EPHX2 2567/4885

“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.