SCHEMBL6084474

SCHEMBL6084474

Oc1cccc(CCCCCOc2cccnc2)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
CHRNB2 P17787 4/20 0.46
CHRNA4 P43681 4/20 0.46
MGLL Q99685 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
HRH1 P35367 2/20 0.43
PTAFR P25105 1/20 0.43
TBXAS1 P24557 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
SCHEMBL6082563 0.81 CYP4F2 (0.46) CYP4F2CYP4A11MGLLHDAC6PTAFR
SCHEMBL13097025 0.79 DRD2 (0.49) CYP4F2CYP4A11CHRNB2CHRNA4PTAFR
SCHEMBL8765703 0.77 DRD2 (0.60) CHRNB2CHRNA4
SCHEMBL11071679 0.76 CHRNA7 (0.53) HRH1PTAFRTBXAS1
SCHEMBL21002079 0.75 MGLL (0.68) MGLLHDAC6
SCHEMBL26548204 0.75 MGLL (0.68) MGLLHDAC6
SCHEMBL8398287 0.75 MGLL (0.68) MGLLHDAC6
SCHEMBL16528761 0.75 DRD2 (0.61) CYP4F2CYP4A11CHRNB2CHRNA4
SCHEMBL22964344 0.74 MAPK1 (0.58)
SCHEMBL11232474 0.73 DRD2 (0.68) MGLLHDAC6

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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors ASTEX THERAPEUTICS LIMITED (GB) 2006-03-23 US disclosed
EP-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 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-20060063782-A1 3-Hetero arylmethoxy ! pyridines and their analogues as p38 map kinase inhibitors MAPK1, MAPK3, MAPK10 CYP4F2 1907/4885CYP4A11 701/4885CHRNB2 1811/4885

“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.