SCHEMBL6714948

SCHEMBL6714948

COc1ccc(NC(=O)N2CCN(c3cccc(C)c3)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.55
▸ CA1 P00915 4/20 0.55
▸ CA2 P00918 4/20 0.55
▸ CA9 Q16790 4/20 0.55
▸ MAPT P10636 4/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ HTR1A P08908 6/20 0.51
▸ HTR1D P28221 6/20 0.51
▸ HTR1B P28222 6/20 0.51
▸ PANK3 Q9H999 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6717896 0.92 HTR1A (0.61) CA12CA1CA2CA9MAPT
SCHEMBL6718825 0.92 HTR1A (0.47) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6716499 0.91 PANK3 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL6718478 0.89 MAPT (0.55) MAPTHTR1AHTR1DHTR1BALDH1A1
SCHEMBL6714888 0.89 MAPT (0.48) MAPTHTR1AHTR1DHTR1BALDH1A1
SCHEMBL6714759 0.88 MAPT (0.70) MAPTHTR1AHTR1DHTR1BMAPK1
SCHEMBL6717551 0.88 MAPT (0.58) CA12CA1CA2CA9MAPT
SCHEMBL6714770 0.88 HTR1A (0.56) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL6724719 0.87 HTR1A (0.52) MAPTHTR1AHTR1DHTR1BALDH1A1
SCHEMBL6717719 0.86 HTR1A (0.52) MAPTHTR1AHTR1DHTR1BPANK3

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 CA12 3780/4885CA1 3170/4885CA2 2231/4885

“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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