SCHEMBL493590

SCHEMBL493590

CN(C)C(c1ccc(F)cc1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.42
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
SPPL2B Q8TCT7 1/20 0.38
SPPL2A Q8TCT8 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
PTGIR P43119 1/20 0.37
CXCR3 P49682 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL493345 0.94 KMT2A (0.39) BDKRB1KMT2AMEN1L3MBTL1HPGD
SCHEMBL493855 0.93 BDKRB1 (0.41) BDKRB1DPP4DPP7PSEN1PSEN2
SCHEMBL493086 0.93 BDKRB1 (0.42) BDKRB1DPP4DPP7PSEN1PSEN2
SCHEMBL493527 0.92 KMT2A (0.43) BDKRB1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL492810 0.91 OPRM1 (0.41) BDKRB1DPP4DPP7PSEN1PSEN2
SCHEMBL492862 0.91 KMT2A (0.42) BDKRB1KMT2AMEN1L3MBTL1HPGD
SCHEMBL493206 0.90 KMT2A (0.37) PTGIRKMT2AMEN1HPGDHTT
SCHEMBL493053 0.90 KMT2A (0.37) PTGIRKMT2AMEN1HPGDHTT
SCHEMBL493439 0.89 L3MBTL1 (0.44) BDKRB1DPP4DPP7PSEN1PSEN2
SCHEMBL492874 0.87 BDKRB1 (0.42) BDKRB1DPP4DPP7PSEN1PSEN2

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-2231657-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS Abbott Laboratories (US) 2010-09-29 EP claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
WO-2009067579-A1 BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS ABBOTT LABORATORIES (US) 2009-05-28 WO 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 1622/4885DPP4 877/4885DPP7 1301/4885

“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.