SCHEMBL17014185

SCHEMBL17014185

C=CCN(C/C(=N/O)c1cccnc1)B(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
OPRM1 P35372 1/20 0.36
DRD3 P35462 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL15294847 0.85 ATM (0.34) CYP1A2HPGDKMT2A
SCHEMBL15657866 0.83 GAA (0.38) GAACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL15657867 0.83 GAA (0.38) GAACYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL17014181 0.82 PLOD2 (0.46) GAALMNAKDM4EKMT2A
SCHEMBL15658646 0.78 GAA (0.42) GAACYP3A4CYP2D6CYP1A2LMNA
SCHEMBL15658645 0.78 GAA (0.42) GAACYP3A4CYP2D6CYP1A2LMNA
SCHEMBL15672541 0.74 RAB9A (0.38) GAACYP3A4CYP1A2LMNATDP1
SCHEMBL15294849 0.73
SCHEMBL15294850 0.73 ALDH1A1 (0.34) GAAHPGDLMNASMN1; SMN2KMT2A
SCHEMBL17014179 0.72 MT-CO1 (0.30) OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9328124-B2 BACE inhibitors ELI LILLY AND COMPANY (US) 2016-05-03 US disclosed
US-20150232483-A1 BACE INHIBITORS ELI LILLY AND COMPANY 2015-08-20 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-20150232483-A1 BACE INHIBITORS BACE1, BACE2, APP GAA 41/4885CYP3A4 1869/4885CYP2D6 2071/4885

“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.