SCHEMBL4887206

SCHEMBL4887206

Cn1c(CNC(=O)OCc2ccccc2)nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
ACHE P22303 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
SLC2A1 P11166 1/20 0.42
GBA1 P04062 1/20 0.42
P2RX7 Q99572 6/20 0.42
MAPT P10636 1/20 0.42
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41

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
SCHEMBL4887610 0.87 BACE1 (0.51) BACE1ACHEMEN1KMT2ATLR9
SCHEMBL4163673 0.82 ACHE (0.42) BACE1ACHETLR9TLR7GBA1
SCHEMBL4178891 0.81 CKS1B (0.43) BACE1ACHEGBA1MAPT
SCHEMBL4889402 0.79 BACE1 (0.49) BACE1ACHEMEN1KMT2ATLR9
SCHEMBL4938133 0.78 OPRM1 (0.49) MEN1KMT2AMAPT
SCHEMBL5242598 0.76 TMEM97 (0.41) BACE1MEN1KMT2AMAPT
SCHEMBL3049200 0.76 SIGMAR1 (0.60) BACE1MEN1KMT2AP2RX7
SCHEMBL18751212 0.76 SIGMAR1 (0.60) BACE1MEN1KMT2AP2RX7
SCHEMBL4881735 0.75 CYP3A4 (0.45) MAPT
SCHEMBL29889007 0.74 SIGMAR1 (0.56) BACE1MEN1KMT2AP2RX7MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 BACE1 1868/4885ACHE 4800/4885MEN1 4745/4885

“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.