SCHEMBL493028

SCHEMBL493028

CN(C)C(c1cccs1)C1CCC(NC(=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
L3MBTL1 Q9Y468 1/20 0.42
BDKRB1 P46663 1/20 0.42
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EPHX2 P34913 2/20 0.35
DPP4 P27487 5/20 0.35
DPP7 Q9UHL4 5/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FASN P49327 1/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL492541 0.91 ALDH1A1 (0.45) L3MBTL1BDKRB1ALDH1A1PKMCYP1A2
SCHEMBL493632 0.90 LMNA (0.37) ALDH1A1PKMMAPTSMN1; SMN2TP53
SCHEMBL492498 0.90 CXCR3 (0.42) L3MBTL1BDKRB1ALDH1A1PKMDPP4
SCHEMBL493244 0.89 BDKRB1 (0.40) L3MBTL1BDKRB1ALDH1A1PKMDPP4
SCHEMBL493420 0.88 LMNA (0.38) ALDH1A1PKMMAPTSMN1; SMN2TP53
SCHEMBL492656 0.88 L3MBTL1 (0.44) L3MBTL1BDKRB1ALDH1A1EPHX2DPP4
SCHEMBL492835 0.86 LMNA (0.43) ALDH1A1NPSR1SMN1; SMN2LMNAGAA
SCHEMBL493439 0.85 L3MBTL1 (0.44) L3MBTL1BDKRB1EPHX2DPP4DPP7
SCHEMBL492973 0.84 L3MBTL1 (0.42) L3MBTL1BDKRB1EPHX2DPP4DPP7
SCHEMBL492827 0.84 MAPT (0.39) L3MBTL1ALDH1A1PKMCYP3A4CYP2D6

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 4 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
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP 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 1622/4885ALDH1A1 1349/4885

“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.