SCHEMBL4170014

SCHEMBL4170014

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
BACE1 P56817 5/20 0.42
MAP4K4 O95819 1/20 0.42
POLB P06746 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
TP53 P04637 1/20 0.40
GRM5 P41594 1/20 0.39

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
SCHEMBL5238295 0.83 MAPT (0.42) POLBLMNAMAPTALDH1A1
SCHEMBL4178891 0.83 CKS1B (0.43) GBA1CKS1BSKP1SKP2BACE1
SCHEMBL4163673 0.79 ACHE (0.42) GBA1CKS1BSKP1SKP2BACE1
SCHEMBL25104472 0.77 SMARCA2 (0.47) GBA1CKS1BSKP1SKP2BACE1
SCHEMBL428233 0.77 GBA1 (0.48) GBA1CKS1BSKP1SKP2BACE1
SCHEMBL5806287 0.75 POLB (0.58) GBA1CKS1BSKP1SKP2MAP4K4
SCHEMBL20142785 0.75 CKS1B (0.46) CKS1BSKP1SKP2BACE1MAP4K4
SCHEMBL114482 0.74 GPR119 (0.53) CKS1BSKP1SKP2BACE1POLB
SCHEMBL25104327 0.74 MAP4K4 (0.46) GBA1CKS1BSKP1SKP2BACE1
SCHEMBL4887206 0.74 BACE1 (0.51) GBA1BACE1MAPTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093454-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2009-04-09 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1853604-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-11-14 EP disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006096444-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-14 WO 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 (2 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 GBA1 2749/4885CKS1B 1259/4885SKP1 3512/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 GBA1 798/4885CKS1B 2993/4885SKP1 2084/4885

“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.