SCHEMBL167219

SCHEMBL167219

O=C(O)c1cccc(C(=O)N2CCC(c3ccccn3)C2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
SPR P35270 1/20 0.57
KDM5A P29375 1/20 0.55
L3MBTL3 Q96JM7 2/20 0.54
KDM2A Q9Y2K7 7/20 0.52
SCD5 Q86SK9 2/20 0.52
HSD11B1 P28845 1/20 0.51
KDM6B O15054 5/20 0.50
KDM5C P41229 5/20 0.50
KDM4C Q9H3R0 5/20 0.50
KDM4A O75164 4/20 0.50
KDM3A Q9Y4C1 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAP3K12 Q12852 2/20 0.49
USP30 Q70CQ3 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL166763 0.86 RBP4 (0.56) NAMPTSPRKDM5ASCD5HSD11B1
SCHEMBL16565554 0.82 ACHE (0.56) NAMPTSPRL3MBTL3KDM2ASCD5
SCHEMBL2806341 0.81 HSD11B1 (0.60) NAMPTSPRKDM5ASCD5HSD11B1
SCHEMBL29640084 0.77 HSD11B1 (0.59) NAMPTSPRKDM5ASCD5HSD11B1
SCHEMBL26315228 0.77 L3MBTL3 (0.64) NAMPTL3MBTL3HSD11B1KDM4EL3MBTL1
SCHEMBL4074303 0.75 HSD11B1 (0.53) NAMPTSPRKDM5ASCD5HSD11B1
SCHEMBL17888462 0.75 PROKR1 (0.58) NAMPTKDM5AKDM4EMAP3K12
SCHEMBL17195702 0.74 NAMPT (1.00) NAMPT
SCHEMBL19961308 0.74 ALDH1A1 (0.67) SPRKDM5AKDM2AHSD11B1KDM6B
SCHEMBL6347014 0.74 HSD11B1 (0.53) NAMPTSPRKDM5AHSD11B1MAP3K12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 NAMPT 1414/4885SPR 1786/4885KDM5A 3063/4885

“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.