SCHEMBL493707

SCHEMBL493707

CN(C)C(c1cccs1)C1CCC(NC(=O)COC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
CACNA1B Q00975 3/20 0.42
KMT2A Q03164 1/20 0.41
PKM P14618 3/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR2 P41597 4/20 0.39
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 2/20 0.37
XBP1 P17861 1/20 0.37
TP53 P04637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL492160 0.90 GAA (0.42) GAAHPGDCACNA1BKMT2APKM
SCHEMBL492780 0.90 GAA (0.41) GAAHPGDCACNA1BKMT2APKM
SCHEMBL492783 0.89 ALDH1A1 (0.43) KMT2APKMLMNATSHRPOLB
SCHEMBL493042 0.87 HTT (0.45) GAAHPGDCACNA1BKMT2APKM
SCHEMBL492692 0.87 PKM (0.43) KMT2APKMLMNASMN1; SMN2TSHR
SCHEMBL493257 0.87 GAA (0.43) GAAHPGDCACNA1BKMT2APKM
SCHEMBL493115 0.86 ALDH1A1 (0.43) GAAKMT2APKMLMNASMN1; SMN2
SCHEMBL493153 0.86 EPHX2 (0.43) GAAKMT2APKMLMNASMN1; SMN2
SCHEMBL493033 0.85 ALDH1A1 (0.41) KMT2APKMLMNASMN1; SMN2TSHR
SCHEMBL492404 0.83 EPHX2 (0.40) GAAPKMPOLBALDH1A1

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 3 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-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US 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 GAA 445/4885HPGD 213/4885CACNA1B 1416/4885

“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.