SCHEMBL493118

SCHEMBL493118

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3cccc(F)c3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 15/20 0.39
▸ MAPT P10636 1/20 0.37
▸ OPRL1 P41146 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PKM P14618 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
SCHEMBL492727 0.92 MAPT (0.34) BDKRB1MAPTOPRL1ALDH1A1GAA
SCHEMBL494004 0.92 BDKRB1 (0.40) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL492675 0.92 BDKRB1 (0.41) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL493262 0.91 BDKRB1 (0.49) BDKRB1
SCHEMBL492956 0.90 BDKRB1 (0.38) BDKRB1
SCHEMBL493437 0.90 AVPR1A (0.38) MAPTOPRL1ALDH1A1PKM
SCHEMBL493671 0.89 BDKRB1 (0.41) BDKRB1
SCHEMBL492490 0.86 MAPT (0.39) MAPTOPRL1ALDH1A1GAASMN1; SMN2
SCHEMBL492545 0.86 BDKRB1 (0.39) BDKRB1OPRL1GAAPKM
SCHEMBL493330 0.86 EPHX2 (0.41) BDKRB1OPRL1ALDH1A1GAASMN1; SMN2

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 BDKRB1 1622/4885MAPT 1653/4885OPRL1 4/4885

“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.

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