SCHEMBL4904162

SCHEMBL4904162

Cn1c(CNC2CCOc3cccnc32)nc2cccc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.40
ACHE P22303 2/20 0.39
GPR119 Q8TDV5 2/20 0.36
USP30 Q70CQ3 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
GBA1 P04062 1/20 0.35
BACE1 P56817 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL4885774 0.86 CXCR4 (0.47) PDE10AACHEGPR119USP30DDB1
SCHEMBL4895659 0.84 ADRB1 (0.38) PDE10A
Trifluoroacetic Acid SCHEMBL4889301 0.82 CXCR4 (0.44) PDE10AACHEDDB1CRBNGBA1
SCHEMBL4178891 0.75 CKS1B (0.43) ACHEGPR119POLBMAPTGBA1
SCHEMBL4885422 0.74 CXCR4 (0.49) PDE10AACHEGPR119DDB1CRBN
SCHEMBL4882709 0.73 CXCR4 (0.51)
SCHEMBL4177280 0.72 CXCR4 (0.47) PDE10AACHEGPR119POLBGBA1
SCHEMBL4885398 0.72 CXCR4 (0.47) FNTAFNTB
SCHEMBL4163673 0.72 ACHE (0.42) ACHEGPR119MAPTGBA1BACE1
SCHEMBL4887206 0.72 BACE1 (0.51) ACHEMAPTGBA1BACE1

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-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 US disclosed
US-20080214562-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-04 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-20080214562-A1 Chemical Compounds CCR5, CXCR4, CXCR3 PDE10A 2500/4885ACHE 4784/4885GPR119 263/4885

“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.