SCHEMBL5638151

SCHEMBL5638151

O=C(O)N[C@H]1CCCCN(Cc2ccncc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.49
▸ APP P05067 1/20 0.48
▸ NPY1R P25929 1/20 0.48
▸ RAMP1 O60894 2/20 0.47
▸ CALCRL Q16602 2/20 0.47
▸ ACE P12821 4/20 0.46
▸ MME P08473 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43

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
SCHEMBL5637435 0.88 NPY1R (0.58) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5638695 0.86 KDM4E (0.53) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5637803 0.85 SRC (0.52) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL7950295 0.84 SRC (0.67) SRCAPPNPY1R
SCHEMBL14171421 0.83 FNTA (0.43) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5640916 0.82 SRC (0.58) SRCAPPNPY1R
SCHEMBL5637302 0.81 FNTA (0.42) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5637296 0.81 FNTA (0.44) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5638319 0.80 L3MBTL1 (0.47) SRCAPPNPY1RRAMP1CALCRL
SCHEMBL5639237 0.78 NPY1R (0.50) SRCAPPNPY1RRAMP1CALCRL

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 6 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-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 — — EP 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-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 — — WO 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 SRC 1866/4885APP 3071/4885NPY1R 265/4885

“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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