SCHEMBL494004

SCHEMBL494004

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)NC2CCC(C(c3ccc(F)cc3)N(C)C)CC2)c(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 15/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL492675 0.92 BDKRB1 (0.41) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL493494 0.92 POLB (0.37) BDKRB1MAPTPOLBALDH1A1GAA
SCHEMBL493118 0.92 BDKRB1 (0.39) BDKRB1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL493182 0.90 BDKRB1 (0.51) BDKRB1
SCHEMBL493575 0.89 BDKRB1 (0.41) BDKRB1MAPT
SCHEMBL493524 0.89 AVPR1A (0.37) MAPTPOLBALDH1A1
SCHEMBL492944 0.88 BDKRB1 (0.42) BDKRB1
SCHEMBL493119 0.85 KMT2A (0.42) MAPTPOLBALDH1A1GAASMN1; SMN2
SCHEMBL493469 0.85 EPHX2 (0.42) BDKRB1POLBALDH1A1GAASMN1; SMN2
SCHEMBL492727 0.84 MAPT (0.34) BDKRB1MAPTPOLBALDH1A1GAA

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 1653/4885POLB 2120/4885

“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.