SCHEMBL493050

SCHEMBL493050

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCCNS(=O)(=O)c2ccccc2Cc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 2/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.32

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
SCHEMBL492676 0.95 CNR1 (0.35) RAB9AL3MBTL1CYP3A4HPGDSLC6A2
SCHEMBL493375 0.93 OPRL1 (0.36) RAB9ACYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL493525 0.90 POLB (0.39) RAB9ACYP3A4HPGDCYP2C19SLC6A2
SCHEMBL492463 0.89 SMN1; SMN2 (0.38) RAB9AL3MBTL1SMN1; SMN2POLBTSHR
SCHEMBL492939 0.89 PTGIR (0.39) L3MBTL1HPGDPOLBKMT2A
SCHEMBL492654 0.84 FAAH (0.38) HPGDKMT2A
SCHEMBL492240 0.84 PTGIR (0.36) HPGDPOLBKMT2A
SCHEMBL492602 0.83 PTGIR (0.37) KMT2A
SCHEMBL492259 0.83 SGMS1 (0.33) HPGDSLC6A2SLC6A4SLC6A3KMT2A
SCHEMBL493355 0.82 PTGIR (0.37) HPGDKMT2A

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 2004/4885L3MBTL1 4753/4885CYP3A4 465/4885

“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.