SCHEMBL4877066

SCHEMBL4877066

C=CCOc1cc(OC(=O)N(C)C)cc(C(=O)OC)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.40
ACHE P22303 4/20 0.40
CYP2D6 P10635 2/20 0.40
ADRB2 P07550 2/20 0.40
KCNH2 Q12809 1/20 0.40
LMNA P02545 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 2/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
BLM P54132 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL20395893 0.87 MAPT (0.44) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL4871580 0.86 PLA2G2A (0.42) BCHEACHECYP2D6ADRB2KCNH2
Hydrogen Sulfide SCHEMBL20395882 0.86 MAPT (0.43) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL644117 0.84 MAPT (0.44) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL2533186 0.84 ADRB2 (0.39) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL644523 0.83 CA1 (0.43) ADRB2RAB9AADRB1ADRB3BLM
SCHEMBL4873232 0.81 ADRB2 (0.40) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL3550177 0.80 RAB9A (0.48) BCHEACHECYP2D6ADRB2KCNH2
SCHEMBL2530033 0.80 ATM (0.41) ADRB2LMNARAB9AADRB1ADRB3
SCHEMBL4878299 0.79 KAT6A (0.51) ADRB2LMNARAB9AADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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 (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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP BCHE 44/4885ACHE 130/4885CYP2D6 476/4885

“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.