SCHEMBL3095618

SCHEMBL3095618

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.58
CHRNB2 P17787 5/20 0.49
CHRNA4 P43681 4/20 0.49
CYP2A6 P11509 3/20 0.49
CHRNA7 P36544 5/20 0.46
CHRNA3 P32297 1/20 0.45
MEN1 O00255 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL27866413 1.00 CYP11B2 (0.58) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL3091962 1.00 CYP11B2 (0.58) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721803 0.90 CYP11B2 (0.64) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721801 0.90 CYP11B2 (0.64) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721186 0.90 CYP11B2 (0.64) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721183 0.90 CYP11B2 (0.64) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721188 0.90 CYP11B2 (0.64) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1722639 0.89 CYP11B2 (0.67) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721054 0.89 CYP11B2 (0.67) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7
SCHEMBL1721056 0.89 CYP11B2 (0.67) CYP11B2CHRNB2CHRNA4CYP2A6CHRNA7

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 CYP11B2 341/4885CHRNB2 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.