SCHEMBL492986

SCHEMBL492986

COc1ccc(S(=O)(=O)N2CCCCC2CCOCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
PAX8 Q06710 1/20 0.43
FAAH O00519 1/20 0.41
ACHE P22303 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
FKBP1A P62942 1/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP13 P45452 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL493843 0.93 NPC1 (0.44) RAB9ANPC1PAX8MMP1MMP3
SCHEMBL493026 0.93 NPC1 (0.52) RAB9ANPC1PAX8MMP1MMP3
SCHEMBL492877 0.93 RAB9A (0.47) RAB9ANPC1PAX8FAAHACHE
SCHEMBL493410 0.92 NPC1 (0.47) RAB9ANPC1PAX8
SCHEMBL492515 0.90 RAB9A (0.49) RAB9ANPC1PAX8NCOA1NCOA3
SCHEMBL492698 0.89 ALDH1A1 (0.47) RAB9ANPC1PAX8MMP1MMP3
SCHEMBL493665 0.88 RAB9A (0.47) RAB9ANPC1PAX8FAAHACHE
SCHEMBL492718 0.87 NPC1 (0.47) RAB9ANPC1PAX8NCOA1NCOA3
SCHEMBL492881 0.87 NPC1 (0.55) RAB9ANPC1PAX8NCOA1NCOA3
SCHEMBL492710 0.86 NPC1 (0.49) RAB9ANPC1PAX8NCOA1NCOA3

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 6 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
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 519/4885PAX8 2654/4885

“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.