SCHEMBL5637564

SCHEMBL5637564

CC(C)CNC(=O)N1CCCC[C@H](N[C]=O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ASAH1 Q13510 5/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ FAAH O00519 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MMP1 P03956 3/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ CSNK1E P49674 1/20 0.31
▸ TSHR P16473 1/20 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
SCHEMBL5638785 0.84 NPY1R (0.33) KMT2AMEN1MMP1MMP3HSD17B10
SCHEMBL5637870 0.84 EPHX1 (0.40) ASAH1EPHX1FAAHNAAAKMT2A
SCHEMBL5638224 0.84 LMNA (0.38) EPHX1KMT2AMEN1KDM4EHTT
SCHEMBL5637568 0.82 ASAH1 (0.37) ASAH1EPHX1FAAHNAAAKMT2A
SCHEMBL5638407 0.81 L3MBTL1 (0.38) NAAAHTT
SCHEMBL5637705 0.81 POLB (0.35) —
SCHEMBL5637024 0.81 POLB (0.35) —
SCHEMBL5636578 0.81 FAAH (0.38) FAAHKMT2AMEN1KDM4ETSHR
SCHEMBL5637714 0.81 ALDH1A1 (0.31) —
SCHEMBL5639566 0.80 HCRTR2 (0.31) —

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 ASAH1 3102/4885EPHX1 1335/4885FAAH 1626/4885

“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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