SCHEMBL494017

SCHEMBL494017

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL1327826 0.86 RAB9A (0.40) RAB9ANPC1OPRM1OPRK1POLB
SCHEMBL494016 0.85 OPRM1 (0.41) RAB9ANPC1OPRM1OPRK1ALDH1A1
SCHEMBL1326720 0.84 LMNA (0.57) OPRM1POLBALDH1A1GAA
SCHEMBL2306265 0.81 OPRM1 (0.39) RAB9ANPC1OPRM1OPRK1ALDH1A1
SCHEMBL493318 0.81 CYP3A4 (0.47) RAB9AOPRM1HPGDL3MBTL1CYP3A4
SCHEMBL1327941 0.80 RAB9A (0.49) RAB9ANPC1POLBALDH1A1HPGD
SCHEMBL1327451 0.78 L3MBTL1 (0.42) RAB9ANPC1ALDH1A1HPGDGFER
SCHEMBL644429 0.78 OPRM1 (0.45) RAB9ANPC1OPRM1OPRK1POLB
SCHEMBL1328006 0.78 PLK1 (0.39) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL493263 0.77 OPRM1 (0.37) RAB9ANPC1OPRM1OPRK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 RAB9A 2004/4885NPC1 519/4885OPRM1 20/4885

“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.