SCHEMBL6720399

SCHEMBL6720399

COc1ccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HTR1A P08908 11/20 0.54
▸ HTR1D P28221 11/20 0.54
▸ HTR1B P28222 11/20 0.54
▸ STS P08842 2/20 0.54
▸ RAB9A P51151 2/20 0.51
▸ HTR2C P28335 3/20 0.50
▸ HTR6 P50406 3/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ GAA P10253 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL6717656 0.93 HTR1A (0.64) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6717515 0.92 HTR1A (0.55) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6714770 0.90 HTR1A (0.56) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6716662 0.89 RBP4 (0.49) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6714842 0.88 HTR1A (0.64) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6718238 0.87 HTR1A (0.69) MAPTHTR1AHTR1DHTR1BRAB9A
SCHEMBL6717731 0.87 HTR1A (0.56) MAPTALDH1A1HTR1AHTR1DHTR1B
SCHEMBL6784805 0.87 MAPT (0.58) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6718793 0.87 HTR1A (0.64) MAPTLMNAHTR1AHTR1DHTR1B
SCHEMBL6716740 0.87 HTR1A (0.54) MAPTHTR1AHTR1DHTR1BRAB9A

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 1705/4885LMNA 4285/4885ALDH1A1 2769/4885

“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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