SCHEMBL6714737

SCHEMBL6714737

COc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1C1CCN(C(C)C)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 8/20 0.61
▸ HTR1D P28221 8/20 0.61
▸ HTR1B P28222 8/20 0.61
▸ HTR2A P28223 5/20 0.61
▸ HTR2C P28335 4/20 0.61
▸ HTR6 P50406 3/20 0.61
▸ MAPT P10636 3/20 0.57
▸ RBP4 P02753 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ STS P08842 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CA12 O43570 3/20 0.50
▸ CA2 P00918 3/20 0.50
▸ CA9 Q16790 3/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.47
▸ PDGFRB P09619 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
SCHEMBL6717719 0.94 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6716499 0.91 PANK3 (0.58) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6717567 0.91 MAPT (0.58) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718478 0.91 MAPT (0.55) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6724719 0.89 HTR1A (0.52) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6715062 0.89 PANK3 (0.56) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714888 0.88 MAPT (0.48) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718825 0.88 HTR1A (0.47) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6714745 0.88 HTR1A (0.51) HTR1AHTR1DHTR1BHTR2AHTR2C
SCHEMBL6718189 0.87 MAPT (0.50) HTR1AHTR1DHTR1BHTR2AHTR2C

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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