SCHEMBL5639916

SCHEMBL5639916

Cc1cccc(C)c1CN1CCCC[C@H](N[C]=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.39
▸ F10 P00742 6/20 0.38
▸ SRC P12931 4/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ APP P05067 1/20 0.35
▸ ACE P12821 3/20 0.34
▸ C5AR1 P21730 1/20 0.34
▸ TRPC5 Q9UL62 1/20 0.34
▸ MME P08473 1/20 0.34
▸ KCNK3 O14649 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL5639922 0.84 NPY1R (0.39) NPY1RF10SRCAPPACE
SCHEMBL5639237 0.82 NPY1R (0.50) NPY1RF10SRCAPPACE
SCHEMBL5637605 0.81 FNTA (0.50) NPY1RSRCFNTAFNTBAPP
SCHEMBL5638930 0.78 SIRT1 (0.40) NPY1RC5AR1TRPC5KCNK3LMNA
SCHEMBL5636758 0.77 GAA (0.36) ACEMME
SCHEMBL6797136 0.76 F10 (0.46) NPY1RF10SRCAPPACE
SCHEMBL5637296 0.76 FNTA (0.44) NPY1RSRCFNTAFNTBAPP
SCHEMBL5640370 0.76 KCNH2 (0.44) SRCFNTAFNTB
SCHEMBL5638980 0.76 DDB1 (0.44) FNTAFNTBLMNA
SCHEMBL5638678 0.76 SRC (0.48) SRCAPP

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 NPY1R 265/4885F10 4667/4885SRC 1866/4885

“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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