SCHEMBL493197

SCHEMBL493197

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(c3ccccc3)N(C)C)CC2)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
PTGIR P43119 4/20 0.38
NPC1 O15118 2/20 0.38
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
AVPR1A P37288 5/20 0.37
AVPR1B P47901 5/20 0.37
OXTR P30559 2/20 0.37

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
SCHEMBL493307 0.93 LMNA (0.42) RAB9ANPC1HPGDALDH1A1GAA
SCHEMBL493088 0.93 OXTR (0.37) RAB9AFAAHACHENPC1ALDH1A1
SCHEMBL493234 0.93 LMNA (0.37) RAB9APTGIRNPC1ALDH1A1GAA
SCHEMBL492880 0.90 KMT2A (0.41) RAB9ANPC1ALDH1A1AVPR1AAVPR1B
SCHEMBL492877 0.89 RAB9A (0.47) RAB9AFAAHACHEPTGIRNPC1
SCHEMBL492649 0.89 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1GAAAVPR1A
SCHEMBL493269 0.88 POLB (0.40) RAB9AFAAHACHEPTGIRNPC1
SCHEMBL493522 0.88 FKBP1A (0.41) RAB9APTGIRHPGDALDH1A1GAA
SCHEMBL493099 0.87 NPC1 (0.43) RAB9ANPC1HPGDALDH1A1AVPR1A
SCHEMBL493106 0.87 NPC1 (0.36) RAB9AACHEPTGIRNPC1HPGD

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 8 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
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 RAB9A 2004/4885FAAH 6/4885ACHE 52/4885

“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.