SCHEMBL442694

SCHEMBL442694

COC(=O)C1CCC(C(=O)NCC(=O)c2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
RAB9A P51151 3/20 0.53
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALDH1A1 P00352 7/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
MTNR1A P48039 3/20 0.48
MTNR1B P49286 3/20 0.48
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HPGD P15428 4/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43

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
SCHEMBL406875 1.00 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AHTTGAARXFP1
SCHEMBL23014327 0.89 SMN1; SMN2 (0.62) SMN1; SMN2RAB9AHTTGAARXFP1
SCHEMBL23014367 0.83 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AHTTGAARXFP1
SCHEMBL23023336 0.82 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AHTTGAARXFP1
SCHEMBL168728 0.82 MAPT (0.54) HTTALDH1A1MEN1KMT2AMAPT
SCHEMBL5519093 0.79 ALDH1A1 (0.69) SMN1; SMN2RAB9AALDH1A1HPGDMAPT
SCHEMBL14451342 0.79 ALDH1A1 (0.69) SMN1; SMN2RAB9AALDH1A1HPGDMAPT
SCHEMBL23014141 0.78 MTNR1A (0.60) SMN1; SMN2RAB9AKMT2AMTNR1AMTNR1B
SCHEMBL7274110 0.77 CYP2C19 (0.61) SMN1; SMN2GAAALDH1A1MEN1CYP2C19
SCHEMBL10436171 0.77 CYP2C19 (0.61) SMN1; SMN2GAAALDH1A1MEN1CYP2C19

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT SMN1; SMN2 2301/4885RAB9A 1525/4885HTT 567/4885

“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.