SCHEMBL4076536

SCHEMBL4076536

CC(=O)c1cn2c(N3CCN(C)CC3)cccc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.39
▸ F10 P00742 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ HDAC3 O15379 3/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC1 Q13547 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC6 Q9UBN7 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ HTR3E A5X5Y0 3/20 0.37
▸ HTR3B O95264 3/20 0.37
▸ HTR3A P46098 3/20 0.37
▸ HTR3D Q70Z44 3/20 0.37
▸ HTR3C Q8WXA8 3/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37

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
SCHEMBL21516108 0.89 PTGS1 (0.42) GAAF10POLBHDAC3HDAC4
SCHEMBL21516106 0.86 GAA (0.45) GAAF10USP2MEN1ALDH1A1
SCHEMBL21942347 0.79 HDAC3 (0.43) F10POLBHDAC3HDAC4HDAC1
SCHEMBL5543916 0.77 HTR3A (0.41) POLBHTR3EHTR3BHTR3AHTR3D
SCHEMBL21516782 0.77 F10 (0.42) F10POLBHTR3EHTR3BHTR3A
SCHEMBL3734963 0.77 F10 (0.48) F10POLBHTR3EHTR3BHTR3A
SCHEMBL3732428 0.77 POLB (0.46) F10POLBHDAC3HDAC4HDAC1
SCHEMBL4069418 0.76 F10 (0.50) F10POLBHTR3EHTR3BHTR3A
SCHEMBL21516088 0.74 HTR3B (0.40) F10POLBHTR3EHTR3BHTR3A
SCHEMBL10242648 0.73 GAA (0.66) GAAPOLBMEN1ALDH1A1KMT2A

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-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
US-20070254910-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2007-11-01 — — US disclosed
US-20070232615-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 — — US disclosed
EP-1799671-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-27 — — EP disclosed
EP-1784185-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-05-16 — — EP 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 (2 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-20070232615-A1 Chemical Compounds CXCR4, CCR5, CXCR3 GAA 4011/4885F10 4041/4885POLB 3977/4885
US-20070254910-A1 CHEMICAL COMPOUNDS CXCR4, CCR5, CXCR3 GAA 4011/4885F10 4041/4885POLB 3977/4885

“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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