SCHEMBL166763

SCHEMBL166763

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.56
NAMPT P43490 1/20 0.55
KDM5A P29375 1/20 0.54
SPR P35270 1/20 0.53
RHOA P61586 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAP3K12 Q12852 2/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
USP30 Q70CQ3 1/20 0.48
HSD11B1 P28845 1/20 0.47
EPHX2 P34913 1/20 0.46
APLNR P35414 1/20 0.46
SCD5 Q86SK9 1/20 0.46
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
PROKR1 Q8TCW9 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
SCHEMBL167219 0.86 NAMPT (0.58) NAMPTKDM5ASPRMAP3K12USP30
SCHEMBL12791432 0.80 HSD11B1 (0.56) NAMPTKDM5ASPRALDH1A1DRD4
SCHEMBL16565554 0.76 ACHE (0.56) NAMPTSPRKMT2AMEN1DRD2
SCHEMBL1364655 0.75 RBP4 (0.62) RBP4RHOAKMT2AMEN1ALDH1A1
SCHEMBL2806341 0.74 HSD11B1 (0.60) NAMPTKDM5ASPRALDH1A1DRD2
SCHEMBL4694344 0.74 HPGD (0.62) RBP4RHOAKMT2AMEN1ALDH1A1
SCHEMBL17888462 0.74 PROKR1 (0.58) NAMPTKDM5AKMT2AALDH1A1MAP3K12
SCHEMBL29640084 0.73 HSD11B1 (0.59) NAMPTKDM5ASPRDRD2DRD4
SCHEMBL10666502 0.73 HPGD (0.65) RBP4RHOAKMT2AMEN1ALDH1A1
SCHEMBL18115645 0.72 GPR119 (0.59) KDM5ASPRUSP30HSD11B1

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 RBP4 3988/4885NAMPT 1414/4885KDM5A 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.