SCHEMBL3902814

SCHEMBL3902814

CC(C)(C)OC(=O)N1CCOc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.50
NAAA Q02083 3/20 0.50
MAOA P21397 2/20 0.50
USP30 Q70CQ3 1/20 0.50
FAAH O00519 1/20 0.49
GRM5 P41594 4/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
LCK P06239 1/20 0.44
MET P08581 1/20 0.44
KDR P35968 1/20 0.44
YAP1 P46937 2/20 0.44
GHSR Q92847 3/20 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
SCHEMBL3901043 0.82 S1PR1 (0.50) USP30GRM5DGAT1
SCHEMBL3905087 0.82 PDK1 (0.54) MAOBMAOANPC1RAB9AYAP1
SCHEMBL30102438 0.82 PDK1 (0.54) MAOBMAOANPC1RAB9AYAP1
SCHEMBL2987493 0.82 RIPK1 (0.48) MAOBNAAAMAOAGRM5NPC1
SCHEMBL17321358 0.80 HRH3 (0.53) MAOBMAOANPC1RAB9AYAP1
SCHEMBL3897500 0.80 USP30 (0.51) MAOBMAOAUSP30ALDH1A1SMN1; SMN2
SCHEMBL3902299 0.78 PDK1 (0.51) NPC1RAB9ASMN1; SMN2YAP1GHSR
SCHEMBL29628537 0.78 NOTUM (0.64) USP30ALDH1A1NPSR1
SCHEMBL3540362 0.78 NOTUM (0.64) USP30ALDH1A1NPSR1
SCHEMBL26429611 0.77 USP30 (0.51) USP30ALDH1A1KDR

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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP 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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 MAOB 3621/4885NAAA 532/4885MAOA 3367/4885

“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.