SCHEMBL492903

SCHEMBL492903

COc1ccc(S(=O)(=O)N2CCCCC2COCC(=O)NCC2CCC(C(CCc3ccccc3)N(C)C)CC2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
FKBP1A P62942 5/20 0.43
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
FKBP5 Q13451 2/20 0.39
FKBP4 Q02790 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL493436 0.91 RAB9A (0.45) FKBP1AL3MBTL1
SCHEMBL493786 0.91 FKBP1A (0.40) FKBP1AFKBP5FKBP4
SCHEMBL493078 0.89 FAAH (0.44) L3MBTL1
SCHEMBL494439 0.89 HTR7 (0.39) FKBP1A
SCHEMBL493269 0.88 POLB (0.40) POLBGAAALDH1A1
SCHEMBL493522 0.88 FKBP1A (0.41) FKBP1AFKBP5FKBP4NCOA1NCOA3
SCHEMBL493665 0.85 RAB9A (0.47) FKBP1AL3MBTL1
SCHEMBL492833 0.83 KMT2A (0.39) FKBP1ANCOA1NCOA3L3MBTL1ALDH1A1
SCHEMBL493363 0.82 NPC1 (0.40) FKBP1ANCOA1NCOA3L3MBTL1ALDH1A1
SCHEMBL493162 0.82 POLB (0.39) POLBFKBP1AFKBP5FKBP4GAA

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 POLB 2120/4885FKBP1A 835/4885PDE4A 1313/4885

“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.