SCHEMBL3734963

SCHEMBL3734963

CN1CCN(c2cccc3nc(CO)cn23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 8/20 0.48
▸ F2 P00734 1/20 0.48
▸ KLKB1 P03952 1/20 0.48
▸ DRD2 P14416 1/20 0.39
▸ DRD4 P21917 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR3E A5X5Y0 3/20 0.38
▸ HTR3B O95264 3/20 0.38
▸ HTR3A P46098 3/20 0.38
▸ HTR3D Q70Z44 3/20 0.38
▸ HTR3C Q8WXA8 3/20 0.38
▸ ACE P12821 1/20 0.37
▸ CXCR4 P61073 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ CHKA P35790 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35

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
SCHEMBL21516088 0.86 HTR3B (0.40) F10F2KLKB1DRD2DRD4
SCHEMBL4885839 0.83 F10 (0.46) F10F2KLKB1CXCR4POLB
SCHEMBL5543916 0.78 HTR3A (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL21516782 0.78 F10 (0.42) F10HTR3EHTR3BHTR3AHTR3D
SCHEMBL21516108 0.77 PTGS1 (0.42) F10HTR3EHTR3BHTR3AHTR3D
SCHEMBL4076536 0.77 GAA (0.39) F10HTR3EHTR3BHTR3AHTR3D
SCHEMBL4069418 0.77 F10 (0.50) F10HTR3EHTR3BHTR3AHTR3D
SCHEMBL21516106 0.76 GAA (0.45) F10KDM4EALDH1A1JAK2JAK1
SCHEMBL3732428 0.75 POLB (0.46) F10HTR3EHTR3BHTR3AHTR3D
SCHEMBL21516593 0.74 F10 (0.41) F10DRD2DRD3HTR3EHTR3B

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100280010-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-11-04 — — US disclosed
EP-1919872-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 — — EP disclosed
EP-1799671-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-10 — — EP disclosed
EP-1784185-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 — — EP disclosed
EP-1984376-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-08 — — EP disclosed
EP-1984376-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-29 — — EP disclosed
US-20080234318-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 — — US disclosed
US-20080234318-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-09-25 — — US disclosed
US-20080207634-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-08-28 — — US disclosed
US-20080171740-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 — — US disclosed
WO-2007087549-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 — — WO disclosed
EP-1799671-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-27 — — EP disclosed
EP-1793825-A2 CHEMCIAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-13 — — EP disclosed
EP-1784185-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-05-16 — — EP disclosed
WO-2007027999-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 — — WO disclosed
WO-2007027999-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-08 — — WO disclosed
WO-2006076131-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-07-20 — — WO disclosed
WO-2006036816-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-06 — — WO disclosed
WO-2006028896-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 — — WO disclosed
WO-2006026703-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-09 — — 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 (4 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-20080234318-A1 Chemical Compounds CCR5, CXCR4, CXCR3 F10 3888/4885F2 4811/4885KLKB1 2128/4885
US-20100280010-A1 CHEMICAL COMPOUNDS CCR5, CXCR4, CXCR3 F10 3888/4885F2 4811/4885KLKB1 2128/4885
US-20080171740-A1 Chemical Compounds CXCR4, CCR5, CXCR3 F10 4041/4885F2 4855/4885KLKB1 2250/4885
US-20080207634-A1 Chemical Compounds CCR5, CXCR4, CXCR3 F10 3930/4885F2 4822/4885KLKB1 1724/4885

“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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