SCHEMBL5638262

SCHEMBL5638262

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.39
▸ F10 P00742 2/20 0.35
▸ XIAP P98170 6/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ MMP3 P08254 2/20 0.34
▸ MME P08473 1/20 0.34
▸ ACE P12821 1/20 0.34
▸ BIRC3 Q13489 1/20 0.33
▸ BIRC2 Q13490 1/20 0.33
▸ BIRC8 Q96P09 1/20 0.33

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
SCHEMBL5639998 0.86 NPY1R (0.40) NPY1RXIAPMMP1MMP3MME
SCHEMBL5638645 0.86 F10 (0.36) NPY1RF10XIAPMMP1MMP3
SCHEMBL5639949 0.83 CYP3A4 (0.42) F10MMP1MMP3
SCHEMBL5638385 0.81 MEN1 (0.33) NPY1RXIAP
SCHEMBL5638375 0.81 MEN1 (0.33) NPY1R
SCHEMBL5638966 0.80 ALDH1A1 (0.36) NPY1RF10XIAPMMP1MMP3
SCHEMBL5639951 0.79 MEN1 (0.37) NPY1RF10XIAPMMP1MMP3
SCHEMBL5639191 0.77 DPP4 (0.42) —
SCHEMBL5640440 0.77 FAAH (0.40) F10
SCHEMBL5638919 0.77 ALDH1A1 (0.36) F10MMEACE

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 NPY1R 265/4885F10 4667/4885XIAP 2106/4885

“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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