SCHEMBL6718238

SCHEMBL6718238

COc1ccc(NC(=O)N2CCN(c3cccc4c3CCCC4)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.69
▸ HTR1D P28221 13/20 0.69
▸ HTR1B P28222 13/20 0.69
▸ HTR2C P28335 4/20 0.50
▸ HTR6 P50406 4/20 0.50
▸ HTR2A P28223 3/20 0.50
▸ HTR7 P34969 2/20 0.50
▸ MAPT P10636 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ GAA P10253 1/20 0.46

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
SCHEMBL6720399 0.87 MAPT (0.59) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717656 0.87 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6718241 0.87 HTR1A (0.69) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714842 0.85 HTR1A (0.64) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6261942 0.85 HTR1A (0.48) HTR1AHTR1DHTR1B
SCHEMBL6714874 0.85 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717731 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714770 0.85 HTR1A (0.56) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6714916 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6717515 0.84 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR6

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 HTR1A 651/4885HTR1D 887/4885HTR1B 860/4885

“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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