SCHEMBL5638414

SCHEMBL5638414

CCCCNC(=O)N1CCCC[C@H](NC=O)C1=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FKBP1A P62942 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.36
▸ GNAI3 P08754 1/20 0.36
▸ GNAO1 P09471 1/20 0.36
▸ GNAI1 P63096 1/20 0.36
▸ NAAA Q02083 1/20 0.36

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
SCHEMBL5638230 0.94 LMNA (0.38) L3MBTL1NPSR1HTTFKBP1AGNAI3
SCHEMBL5637718 0.86 ALDH1A1 (0.31) —
SCHEMBL5640710 0.85 NPSR1 (0.41) L3MBTL1NPSR1GAAHTTFKBP1A
SCHEMBL5638407 0.84 L3MBTL1 (0.38) L3MBTL1NPSR1GAAHTTFKBP1A
SCHEMBL5637568 0.82 ASAH1 (0.37) HTTNAAA
SCHEMBL5637029 0.81 POLB (0.35) —
SCHEMBL5637709 0.81 POLB (0.35) —
SCHEMBL5636583 0.81 FAAH (0.36) NPSR1
SCHEMBL5639370 0.81 L3MBTL1 (0.41) L3MBTL1NPSR1GAAHTTFKBP1A
SCHEMBL5639569 0.80 HCRTR2 (0.31) FKBP1A

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 4 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
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 — — EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 — — US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 — — 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 (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 L3MBTL1 880/4885NPSR1 59/4885GAA 4333/4885

“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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