SCHEMBL4178891

SCHEMBL4178891

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
GBA1 P04062 2/20 0.43
ACHE P22303 2/20 0.42
BACE1 P56817 4/20 0.42
MAP4K4 O95819 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
GPR119 Q8TDV5 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 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
SCHEMBL4163673 0.88 ACHE (0.42) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL5549018 0.85 NCF1 (0.39) MAPTALDH1A1LMNA
SCHEMBL4170014 0.83 GBA1 (0.46) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL4887206 0.81 BACE1 (0.51) GBA1ACHEBACE1MAPT
SCHEMBL25104472 0.77 SMARCA2 (0.47) CKS1BSKP1SKP2GBA1BACE1
SCHEMBL431774 0.77 GBA1 (0.48) CKS1BSKP1SKP2GBA1ACHE
SCHEMBL20142785 0.75 CKS1B (0.46) CKS1BSKP1SKP2ACHEBACE1
SCHEMBL5387953 0.74 NCF1 (0.38) MAPTALDH1A1
SCHEMBL4143924 0.74 KDM4E (0.45) MAPTLMNAGPR119TP53
SCHEMBL615074 0.74 CHRM2 (0.52) CKS1BSKP1SKP2ACHEBACE1

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 CKS1B 1259/4885SKP1 3512/4885SKP2 1352/4885
US-20090093454-A1 Chemical Compounds SLC10A1, CYP11B2, CYP4F3 CKS1B 2993/4885SKP1 2084/4885SKP2 4150/4885

“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.