SCHEMBL1721948

SCHEMBL1721948

O[C@@H]1CC[C@@H](c2ccccn2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
TRPV1 Q8NER1 2/20 0.39
HSD11B1 P28845 1/20 0.39
DRD4 P21917 1/20 0.39
MAPT P10636 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL1721878 1.00 PDE10A (0.43) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL1721879 1.00 PDE10A (0.43) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL1721880 1.00 PDE10A (0.43) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL1721946 1.00 PDE10A (0.43) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL30066891 0.89 PDE10A (0.45) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL447206 0.86 OPRM1 (0.44) PDE10AOPRM1OPRD1OPRK1OPRL1
SCHEMBL900225 0.82
SCHEMBL659325 0.82 KDM4E (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL29448519 0.82
SCHEMBL7849318 0.78 ALDH1A1 (0.41) OPRM1OPRD1OPRK1OPRL1ALDH1A1

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 5 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
EP-2406266-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS Kyorin Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-8071591-B2 7-cycloalkylaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-12-06 US disclosed
WO-2010104205-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 WO disclosed
US-20100234367-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS Kyorin Pharmaceuticals Co. Ltd 2010-09-16 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-20100234367-A1 7-CYCLOALKYLAMINOQUINOLONES AS GSK-3 INHIBITORS GSK3B, GSK3A, GSKIP PDE10A 2559/4885OPRM1 4336/4885OPRD1 3543/4885

“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.