SCHEMBL492761

SCHEMBL492761

CN(CCOCC(=O)NC1CCC(C(CCc2ccccc2)N2CCOCC2)CC1)S(=O)(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ BDKRB1 P46663 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ SIGMAR1 Q99720 2/20 0.35
▸ POLB P06746 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL493343 0.94 NAPEPLD (0.37) ALDH1A1HTTBDKRB1KMT2AMEN1
SCHEMBL492892 0.93 BDKRB1 (0.39) ALDH1A1BDKRB1KMT2AMEN1L3MBTL1
SCHEMBL492785 0.91 NAPEPLD (0.35) ALDH1A1HTTKMT2AMEN1NPSR1
SCHEMBL493640 0.90 ALDH1A1 (0.38) ALDH1A1HTTBDKRB1KMT2AMEN1
SCHEMBL493228 0.89 MCHR1 (0.37) ALDH1A1HTTKMT2AMEN1NPSR1
SCHEMBL493573 0.88 BDKRB1 (0.48) BDKRB1
SCHEMBL493625 0.87 L3MBTL1 (0.36) ALDH1A1BDKRB1KMT2AMEN1L3MBTL1
SCHEMBL493326 0.87 MEN1 (0.38) ALDH1A1BDKRB1KMT2AMEN1L3MBTL1
SCHEMBL493541 0.85 NAPEPLD (0.38) ALDH1A1HTTKMT2AMEN1NPSR1
SCHEMBL492747 0.84 LMNA (0.37) ALDH1A1HTTNPSR1L3MBTL1SIGMAR1

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 10 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-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 — — EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 — — EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — WO 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 ALDH1A1 1349/4885HTT 3541/4885BDKRB1 1622/4885

“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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