SCHEMBL5638872

SCHEMBL5638872

O=[C]N[C@H]1CCCCN(CC(=O)NCc2ccccc2)C1=O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TPSAB1 Q15661 4/20 0.56
▸ TPSD1 Q9BZJ3 4/20 0.56
▸ TPSG1 Q9NRR2 4/20 0.56
▸ F2 P00734 2/20 0.50
▸ F10 P00742 1/20 0.50
▸ ACE P12821 7/20 0.49
▸ MME P08473 1/20 0.49
▸ HTT P42858 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL5638882 0.84 TPSAB1 (0.56) TPSAB1TPSD1TPSG1F2F10
SCHEMBL5637605 0.81 FNTA (0.50) F2ACEMME
SCHEMBL5638998 0.79 ACE (0.51) TPSAB1TPSD1TPSG1F2F10
SCHEMBL5640435 0.78 XIAP (0.41) TPSAB1TPSD1TPSG1F10ACE
SCHEMBL5638435 0.76 TPSAB1 (0.47) TPSAB1TPSD1TPSG1F10HTT
SCHEMBL5638879 0.74 TPSAB1 (0.37) TPSAB1TPSD1TPSG1F2F10
SCHEMBL5637053 0.74 ALDH1A1 (0.48) F2F10ACEMMEHPGD
SCHEMBL5638710 0.73 MMP1 (0.54) F2F10ACEMME
SCHEMBL5638395 0.70 CHRNB2 (0.47) HTTLMNA
SCHEMBL5638443 0.70 TPSAB1 (0.37) TPSAB1TPSD1TPSG1F10ACE

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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