SCHEMBL492656

SCHEMBL492656

CN(C)C(c1ccccc1)C1CCC(NC(=O)COCCN(C)S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
BDKRB1 P46663 1/20 0.44
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 1/20 0.40
CXCR3 P49682 1/20 0.38
ALDH1A1 P00352 1/20 0.38
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
EPHX2 P34913 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CCR5 P51681 2/20 0.36
MAPT P10636 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
SCHEMBL493439 0.93 L3MBTL1 (0.44) L3MBTL1BDKRB1LMNAPSEN1PSEN2
SCHEMBL492973 0.92 L3MBTL1 (0.42) L3MBTL1BDKRB1LMNAHTTGAA
SCHEMBL492817 0.90 CAMK2A (0.40) LMNAHTTALDH1A1CCR5
SCHEMBL493526 0.90 CCR5 (0.43) LMNAHTTGAAALDH1A1CCR5
SCHEMBL492822 0.89 LMNA (0.40) LMNAHTTALDH1A1CCR5SMN1; SMN2
SCHEMBL492782 0.89 CXCR3 (0.47) L3MBTL1BDKRB1LMNAHTTGAA
SCHEMBL493028 0.88 L3MBTL1 (0.42) L3MBTL1BDKRB1LMNAHTTGAA
SCHEMBL492794 0.88 ALDH1A1 (0.40) LMNAHTTALDH1A1CCR5SMN1; SMN2
SCHEMBL492626 0.85 LMNA (0.53) BDKRB1LMNAHTTGAAPSEN1
SCHEMBL492945 0.85 LMNA (0.41) L3MBTL1LMNAHTTALDH1A1SMN1; 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 6 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
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 L3MBTL1 4753/4885BDKRB1 1622/4885LMNA 2485/4885

“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.