SCHEMBL6281444

SCHEMBL6281444

Cc1sc(N2CCOCC2)nc1CCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.49
PIK3CD O00329 4/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ALOX15 P16050 1/20 0.38
PIK3CG P48736 3/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL15349299 0.88 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL7922424 0.83 PPARG (0.41) ARALDH1A1PPARGPPARARAB9A
SCHEMBL28202094 0.81 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL4845510 0.81 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL4851509 0.78 ALDH1A1 (0.50) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL7922690 0.76 ALDH1A1 (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL4057611 0.76 TRPV3 (0.36) SMN1; SMN2PPARGPPARARAB9ANPC1
SCHEMBL4850658 0.75 PIK3CD (0.61) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL4889147 0.74 ALDH1A1 (0.53) ARPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL15925460 0.74 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2

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-6933309-B2 Halogenobenzyl aminopropionic acid derivatives TOAEIYO LTD. (JP) 2005-08-23 US disclosed
EP-1466909-A1 HALOGENOBENZYL AMINOPROPIONIC ACID DERIVATIVES Toaeiyo Ltd. (JP) 2004-10-13 EP disclosed
US-20040102439-A1 Halogenobenzyl aminopropionic acid derivatives TOAEIYO LTD. (JP) 2004-05-27 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-20040102439-A1 Halogenobenzyl aminopropionic acid derivatives FABP4, SLC5A1, ALDH7A1 AR 1981/4885PIK3CD 1452/4885PIK3CA 1674/4885

“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.