SCHEMBL4876996

SCHEMBL4876996

C=CCN(C)c1cccc(C(=O)OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 3/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MEP1B Q16820 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL14898280 0.88 LMNA (0.49) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL15014144 0.84 LMNA (0.53) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL4881018 0.81 PPARA (0.46) NPC1RAB9AGAAKMT2AMEN1
SCHEMBL32685467 0.81 MAPT (0.65) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL3236449 0.81 MAPT (0.65) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL4872329 0.79 LMNA (0.41) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL10106412 0.78 KMT2A (0.52) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL4926537 0.77 CYP4F2 (0.52) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL1574716 0.77 CYP4F2 (0.52) LMNAMAPTNPSR1ALDH1A1NPC1
SCHEMBL20762833 0.77 CYP3A4 (0.53) LMNAMAPTALDH1A1NPC1RAB9A

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 LMNA 2173/4885MAPT 37/4885NPSR1 1892/4885

“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.