SCHEMBL13652133

SCHEMBL13652133

O=C1CCC(C(=O)O)c2ccccc2N1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.71
CRBN Q96SW2 11/20 0.49
DDB1 Q16531 10/20 0.49
NPC1 O15118 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
MAPT P10636 1/20 0.41

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
SCHEMBL30863319 0.83 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL1843998 0.83 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL29990165 0.83 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL3916768 0.83 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL3919961 0.83 ALDH1A1 (1.00) ALDH1A1MAPT
SCHEMBL5025547 0.77 ALDH1A1 (0.50) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL3053841 0.75 DDB1 (0.65) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL9405618 0.75 NPC1 (0.47) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL1347194 0.75 DDB1 (0.49) ALDH1A1CRBNDDB1NPC1MAPK13
SCHEMBL30899479 0.75 ALDH1A1 (0.54) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 1523/4885CRBN 1749/4885DDB1 1258/4885

“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.