SCHEMBL5637714

SCHEMBL5637714

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

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.31

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
SCHEMBL5638224 0.87 LMNA (0.38) ALDH1A1
SCHEMBL5638407 0.85 L3MBTL1 (0.38) —
SCHEMBL5637718 0.82 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5636578 0.82 FAAH (0.38) ALDH1A1
SCHEMBL5637564 0.81 ASAH1 (0.37) —
SCHEMBL5639566 0.81 HCRTR2 (0.31) —
SCHEMBL5637705 0.80 POLB (0.35) ALDH1A1
SCHEMBL5637024 0.80 POLB (0.35) ALDH1A1
SCHEMBL5640627 0.79 HTT (0.45) ALDH1A1
SCHEMBL5640783 0.79 HTT (0.41) ALDH1A1

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 ALDH1A1 1286/4885

“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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