SCHEMBL4069418

SCHEMBL4069418

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 3/20 0.50
▸ HTR3A P46098 5/20 0.37
▸ HTR3E A5X5Y0 3/20 0.37
▸ HTR3B O95264 3/20 0.37
▸ HTR3D Q70Z44 3/20 0.37
▸ HTR3C Q8WXA8 3/20 0.37
▸ GPR139 Q6DWJ6 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PIK3R1 P27986 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL21516782 0.90 F10 (0.42) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL21516593 0.86 F10 (0.41) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL21942615 0.79 MAPT (0.36) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL5543916 0.77 HTR3A (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3734963 0.77 F10 (0.48) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL21516108 0.76 PTGS1 (0.42) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL4076536 0.76 GAA (0.39) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL3732428 0.74 POLB (0.46) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL21516088 0.74 HTR3B (0.40) F10HTR3AHTR3EHTR3BHTR3D
SCHEMBL21516106 0.73 GAA (0.45) F10GPR139KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332470-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-05-17 — — US disclosed
US-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2019-10-24 — — US 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
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 (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-20190322671-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 F10 2825/4885HTR3A 1143/4885HTR3E 460/4885
US-20070232615-A1 Chemical Compounds CXCR4, CCR5, CXCR3 F10 4041/4885HTR3A 2593/4885HTR3E 1491/4885
US-20070254910-A1 CHEMICAL COMPOUNDS CXCR4, CCR5, CXCR3 F10 4041/4885HTR3A 2593/4885HTR3E 1491/4885
US-11332470-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 F10 2825/4885HTR3A 1143/4885HTR3E 460/4885

“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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