SCHEMBL3083734

SCHEMBL3083734

O[C@@H]1C=C[C@@H](c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.49
CHRNB2 P17787 7/20 0.44
CHRNA4 P43681 6/20 0.44
CYP11B2 P19099 1/20 0.44
CHRNA7 P36544 5/20 0.42
CHRNA3 P32297 1/20 0.41

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
SCHEMBL12539689 0.77 MAOB (0.38) CYP2A6
SCHEMBL28934728 0.73 CYP2A6 (0.66) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL4071841 0.72
SCHEMBL12533764 0.70 CYP11B2 (0.67) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL12533759 0.70 CYP11B2 (0.67) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL12533763 0.70 CYP11B2 (0.67) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL12533767 0.70 CYP11B2 (0.67) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL3091962 0.68 CYP11B2 (0.58) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL3095618 0.68 CYP11B2 (0.58) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7
SCHEMBL27974093 0.68 CHRNB2 (0.49) CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7

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
EP-2406266-B1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2013-12-25 EP disclosed
US-8071591-B2 7-cycloalkylaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-8071591-B2 7-cycloalkylaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
US-20100234367-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS Kyorin Pharmaceuticals Co. Ltd 2010-09-16 US disclosed
US-20100234367-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS Kyorin Pharmaceuticals Co. Ltd 2010-09-16 US disclosed
WO-2010104205-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 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-20100234367-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP CYP2A6 1675/4885CHRNB2 2894/4885CHRNA4 3258/4885

“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.