SCHEMBL5638435

SCHEMBL5638435

O=[C]N[C@H]1CCCCN(CC(=O)Nc2ccncc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 14/20 0.47
▸ TPSD1 Q9BZJ3 14/20 0.47
▸ TPSG1 Q9NRR2 14/20 0.47
▸ PORCN Q9H237 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ F10 P00742 2/20 0.39
▸ XIAP P98170 1/20 0.39

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
SCHEMBL5638452 0.84 TPSAB1 (0.47) TPSAB1TPSD1TPSG1PORCNHTT
SCHEMBL5637296 0.79 FNTA (0.44) —
SCHEMBL5640435 0.78 XIAP (0.41) TPSAB1TPSD1TPSG1F10XIAP
SCHEMBL5638998 0.77 ACE (0.51) TPSAB1TPSD1TPSG1F10
SCHEMBL5638872 0.76 TPSAB1 (0.56) TPSAB1TPSD1TPSG1HTTF10
SCHEMBL5638443 0.74 TPSAB1 (0.37) TPSAB1TPSD1TPSG1F10XIAP
SCHEMBL5638710 0.73 MMP1 (0.54) F10
SCHEMBL5638395 0.70 CHRNB2 (0.47) HTT
SCHEMBL5638879 0.70 TPSAB1 (0.37) TPSAB1TPSD1TPSG1F10XIAP
SCHEMBL5636758 0.70 GAA (0.36) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 — — US disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 TPSAB1 519/4885TPSD1 485/4885TPSG1 953/4885

“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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