SCHEMBL494016

SCHEMBL494016

CN(C)C(c1cccs1)C1CCC(NC(=O)C(N)=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
ALOX5 P09917 1/20 0.39
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GFER P55789 2/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL2306265 0.85 OPRM1 (0.39) OPRM1OPRK1ALOX5RAB9AHPGD
SCHEMBL494017 0.85 RAB9A (0.41) OPRM1OPRK1RAB9AHPGDALDH1A1
SCHEMBL644429 0.81 OPRM1 (0.45) OPRM1OPRK1ALOX5RAB9AALDH1A1
SCHEMBL1327941 0.81 RAB9A (0.49) RAB9AHPGDALDH1A1NPC1MEN1
SCHEMBL1327826 0.81 RAB9A (0.40) OPRM1OPRK1RAB9AHPGDALDH1A1
SCHEMBL493316 0.80 TSHR (0.42) RAB9AHPGDMEN1CYP3A4TSHR
SCHEMBL1326720 0.79 LMNA (0.57) OPRM1ALDH1A1GAAMEN1KMT2A
SCHEMBL1327451 0.79 L3MBTL1 (0.42) RAB9AHPGDALDH1A1GFERL3MBTL1
SCHEMBL1328245 0.78 OPRM1 (0.43) OPRM1OPRK1ALOX5RAB9AALDH1A1
SCHEMBL1326871 0.77 POLB (0.48) RAB9AALDH1A1L3MBTL1NPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRM1 20/4885OPRK1 1/4885ALOX5 340/4885

“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.