SCHEMBL6716446

SCHEMBL6716446

COc1ccc(NC(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)cc1OCCN(C(C)C)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.55
▸ HTR2A P28223 3/20 0.55
▸ HTR2C P28335 3/20 0.55
▸ HTR1D P28221 3/20 0.55
▸ HTR1B P28222 3/20 0.55
▸ HTR7 P34969 2/20 0.55
▸ HTR6 P50406 2/20 0.55
▸ MAPT P10636 5/20 0.51
▸ GAA P10253 1/20 0.51
▸ DRD2 P14416 1/20 0.51
▸ STS P08842 1/20 0.49
▸ TRPV1 Q8NER1 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ RBP4 P02753 1/20 0.49
▸ MCHR1 Q99705 5/20 0.48
▸ RAB9A P51151 1/20 0.47
▸ MAPK1 P28482 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
SCHEMBL6787289 0.94 HTR1A (0.62) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6720401 0.93 HTR1A (0.54) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6716863 0.89 HTR1A (0.62) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6724448 0.87 MAPT (0.58) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6720252 0.87 HTR1A (0.57) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6716633 0.87 HTR1A (0.62) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6786870 0.87 HTR1A (0.51) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6718089 0.86 PANK3 (0.57) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6718319 0.86 MCHR1 (0.52) HTR1AHTR2AHTR2CHTR1DHTR1B
SCHEMBL6717607 0.85 HTR2C (0.52) HTR1AHTR2AHTR2CHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1146790-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-17 — — EP claimed
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
JP-2002535256-A — — 2002-10-22 — — JP claimed
WO-2002005819-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-24 — — WO claimed
EP-1146790-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-10-24 — — EP claimed
WO-2000042852-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-27 — — WO claimed
EP-1146790-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-03-17 — — EP disclosed
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
EP-1146790-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-10-24 — — EP disclosed
WO-2000042852-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-27 — — 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 651/4885HTR2A 1013/4885HTR2C 924/4885

“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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