SCHEMBL493955

SCHEMBL493955

COc1cc(C)c(S(=O)(=O)N2CCCC2COCC(=O)NC2CCC(C(c3ccccc3)N3CCCC3)CC2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.38
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MCHR1 Q99705 1/20 0.34
BDKRB1 P46663 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL492997 0.98 RAB9A (0.37) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL494334 0.95 RAB9A (0.37) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL493699 0.94 ATM (0.37) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL492720 0.94 CACNA2D1 (0.36) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL493818 0.94 ATM (0.38) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL493288 0.90 RAB9A (0.41) RAB9ANPC1
SCHEMBL493572 0.88 PTGIR (0.39) RAB9ANPC1
SCHEMBL493405 0.88 ALDH1A1 (0.38) RAB9ASIGMAR1KDM4EALDH1A1LMNA
SCHEMBL493290 0.87 SIGMAR1 (0.36) RAB9ASIGMAR1
SCHEMBL493404 0.86 SMN1; SMN2 (0.38) RAB9ASLC6A2SLC6A4SLC6A3CYP3A4

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 4 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
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 2004/4885SLC6A2 2372/4885SLC6A4 2704/4885

“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.