SCHEMBL6720252

SCHEMBL6720252

COc1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3OC)CC2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 13/20 0.57
▸ HTR1D P28221 13/20 0.57
▸ HTR1B P28222 13/20 0.57
▸ HTR2C P28335 7/20 0.57
▸ HTR2A P28223 6/20 0.57
▸ HTR6 P50406 5/20 0.57
▸ GAA P10253 1/20 0.53
▸ HTR7 P34969 2/20 0.53
▸ MAPT P10636 1/20 0.51
▸ RBP4 P02753 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MCHR1 Q99705 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
SCHEMBL6786086 0.94 HTR1A (0.50) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6764154 0.90 HTR1A (0.60) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6787289 0.90 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6716863 0.89 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6717607 0.89 HTR2C (0.52) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6718089 0.89 PANK3 (0.57) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6716446 0.87 HTR1A (0.55) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6720401 0.86 HTR1A (0.54) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6716633 0.86 HTR1A (0.62) HTR1AHTR1DHTR1BHTR2CHTR2A
SCHEMBL6714826 0.85 MAPT (0.57) HTR1AHTR1DHTR1BHTR2CHTR2A

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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