SCHEMBL4871530

SCHEMBL4871530

COc1ccnc(C(C)CC(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
CCR5 P51681 1/20 0.43
CCR8 P51685 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CTSA P10619 4/20 0.42
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
RIOK2 Q9BVS4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGB3 P05106 2/20 0.39
ITGB1 P05556 2/20 0.39
ITGAV P06756 2/20 0.39
ITGA5 P08648 2/20 0.39
ITGB5 P18084 1/20 0.39
ITGB6 P18564 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL24128118 0.80 CCR1 (0.52) CCR1CCR5CCR8NOS3NOS1
SCHEMBL6164927 0.78 GABRP (0.39) CTSA
SCHEMBL6164930 0.78 GABRP (0.39) CTSA
SCHEMBL26041435 0.76 CCR1 (0.47) CCR1CCR5CCR8NOS3NOS1
SCHEMBL27028351 0.75 CCR1 (0.53) CCR1CCR5CCR8LMNANOS3
SCHEMBL5664369 0.75 NOS3 (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL9688525 0.75 CCR1 (0.53) CCR1CCR5CCR8LMNANOS3
SCHEMBL2627856 0.75 CCR1 (0.57) CCR1CCR5CCR8CYP1A2NOS3
SCHEMBL10754581 0.74 CCR1 (0.44) CCR1CCR5CCR8LMNANOS3
Hydrochloric Acid SCHEMBL16240803 0.74 NOS3 (0.53) CCR1CCR5CCR8NOS3NOS1

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-7390819-B2 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2008-06-24 US disclosed
US-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors ALTANA PHARMA AG (DE) 2006-07-20 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-20060160839-A1 Imidazo[4,5-b]quinoline-derivatives and their use as no-synthase inhibitors NOS2, NOS1, NOS3 CCR1 4159/4885CCR5 1786/4885CCR8 4388/4885

“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.