SCHEMBL4469459

SCHEMBL4469459

CN(C)OC(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.37
GAA P10253 2/20 0.37
HSD11B1 P28845 1/20 0.37
MAPT P10636 3/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL23929246 0.98 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2GAAHSD11B1
SCHEMBL28061202 0.95 ALDH1A1 (0.38) ALDH1A1POLBSMN1; SMN2GAAHSD11B1
SCHEMBL17407230 0.82 CYP1A2 (0.48) POLBGAAHSD11B1HTTHPGD
SCHEMBL27000251 0.80 TSHR (0.55) POLBSMN1; SMN2MAPTTSHRRAB9A
SCHEMBL26614766 0.76 DPP4 (0.36) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL28601130 0.74 HPGD (0.42) ALDH1A1POLBSMN1; SMN2GAAHSD11B1
SCHEMBL17560432 0.73 ALDH1A1 (0.39) ALDH1A1POLBSMN1; SMN2GAAHSD11B1
SCHEMBL2263812 0.72
SCHEMBL22322309 0.71 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2HSD11B1MAPT
SCHEMBL9987783 0.70 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2HSD11B1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576088-B2 Benzodioxole derivatives HOFFMAN-LA ROCHE INC. (US) 2009-08-18 US disclosed
EP-1532132-B1 NOVEL BENZODIOXOLES HOFFMANN LA ROCHE (CH) 2008-03-19 EP disclosed
US-20050143373-A1 Benzodioxole derivatives ALANINE ALEXANDER (FR) 2005-06-30 US disclosed
US-6900227-B2 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1532132-A1 NOVEL BENZODIOXOLES F.HOFFMANN-LA ROCHE AG (CH) 2005-05-25 EP disclosed
US-20040142922-A1 Benzodioxole derivatives HOFFMANN-LA ROCHE INC. 2004-07-22 US disclosed
WO-2004013120-A1 NOVEL BENZODIOXOLES F. HOFFMANN-LA ROCHE AG (CH) 2004-02-12 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 (2 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-20050143373-A1 Benzodioxole derivatives CNR2, CNR1, GPR119 ALDH1A1 607/4885POLB 4170/4885SMN1; SMN2 3267/4885
US-20040142922-A1 Benzodioxole derivatives CNR1, CNR2, GPR119 ALDH1A1 299/4885POLB 4219/4885SMN1; SMN2 3008/4885

“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.