SCHEMBL493588

SCHEMBL493588

CN(C)C(c1cccs1)C1CCC(CCNC(=O)COCCN(C)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1B Q00975 2/20 0.35
CCR2 P41597 9/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 1/20 0.34
CACNA1C Q13936 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SLC9A3 P48764 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
SCHEMBL492699 0.94 PTGIR (0.38) KDM4EALDH1A1TDP1LMNAGAA
SCHEMBL492835 0.89 LMNA (0.43) KDM4EALDH1A1TDP1LMNAGAA
SCHEMBL493462 0.88 TP53 (0.37) ALDH1A1TDP1LMNASMN1; SMN2TP53
SCHEMBL493159 0.87 BDKRB1 (0.38) LMNAGAASMN1; SMN2CACNA1BTP53
SCHEMBL493097 0.87 POLB (0.40) ALDH1A1TDP1LMNASMN1; SMN2MAPT
SCHEMBL493170 0.86 LMNA (0.39) LMNAGAASMN1; SMN2CACNA1BCCR2
SCHEMBL493244 0.86 BDKRB1 (0.40) ALDH1A1TDP1LMNAGAASMN1; SMN2
SCHEMBL493982 0.86 LMNA (0.37) ALDH1A1LMNAGAASMN1; SMN2CACNA1B
SCHEMBL493347 0.86 TDP1 (0.39) ALDH1A1TDP1LMNASMN1; SMN2TP53
SCHEMBL493529 0.85 ALDH1A1 (0.44) KDM4EALDH1A1TDP1LMNATP53

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
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 KDM4E 2178/4885ALDH1A1 1349/4885TDP1 3893/4885

“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.