SCHEMBL492463

SCHEMBL492463

CN(C)C(c1cccs1)C1CCC(NC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
GAA P10253 1/20 0.31
NPC1 O15118 1/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL493167 0.90 ALDH1A1 (0.38) POLBMAPTGAAMEN1KMT2A
SCHEMBL493050 0.89 RAB9A (0.37) SMN1; SMN2RAB9AL3MBTL1POLBTSHR
SCHEMBL492679 0.89 ALDH1A1 (0.34) SMN1; SMN2POLBMAPT
SCHEMBL492676 0.86 CNR1 (0.35) SMN1; SMN2RAB9AL3MBTL1SIGMAR1TSHR
SCHEMBL493375 0.84 OPRL1 (0.36) SMN1; SMN2RAB9ASIGMAR1OPRM1OPRL1
SCHEMBL493525 0.79 POLB (0.39) RAB9APOLBATMMEN1KMT2A
SCHEMBL492939 0.79 PTGIR (0.39) L3MBTL1POLBMAPTMEN1KMT2A
SCHEMBL492464 0.78 NPSR1 (0.38) SMN1; SMN2L3MBTL1MAPTMEN1KMT2A
SCHEMBL492654 0.76 FAAH (0.38) MEN1KMT2A
SCHEMBL492240 0.76 PTGIR (0.36) POLBMAPTNPC1MEN1KMT2A

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 SMN1; SMN2 1729/4885RAB9A 2004/4885L3MBTL1 4753/4885

“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.