SCHEMBL6717551

SCHEMBL6717551

CCOC(=O)c1cccc(N2CCN(C(=O)Nc3ccc(OC)c(C4CCN(C(C)C)CC4)c3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ HTR1A P08908 3/20 0.47
▸ HTR1D P28221 3/20 0.47
▸ HTR1B P28222 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PDGFRB P09619 1/20 0.45
▸ P2RY12 Q9H244 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CCR2 P41597 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ VCP P55072 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42

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
SCHEMBL6717558 0.89 MAPT (0.58) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6714948 0.88 CA12 (0.55) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6717896 0.87 HTR1A (0.61) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6716499 0.86 PANK3 (0.58) MAPTHTR1AHTR1DHTR1BPDGFRB
SCHEMBL6714759 0.85 MAPT (0.70) MAPTMAPK1HTR1AHTR1DHTR1B
SCHEMBL6718478 0.84 MAPT (0.55) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6714888 0.83 MAPT (0.48) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6718825 0.83 HTR1A (0.47) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6714770 0.83 HTR1A (0.56) MAPTALDH1A1MAPK1HTR1AHTR1D
SCHEMBL6724719 0.82 HTR1A (0.52) MAPTALDH1A1HTR1AHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP claimed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US claimed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO claimed
EP-1313477-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-03 — — EP disclosed
US-20040038982-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-02-26 — — US disclosed
EP-1313477-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2003-05-28 — — EP disclosed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — 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-20040038982-A1 Compounds and methods CCR5, CXCR3, CCR2 MAPT 1705/4885ALDH1A1 2769/4885MAPK1 2816/4885

“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.

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