SCHEMBL12093676

SCHEMBL12093676

COCCc1ccnc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 7/20 0.62
LOX P28300 6/20 0.62
FFAR1 O14842 1/20 0.40
GSK3B P49841 3/20 0.39
GSK3A P49840 2/20 0.39
CDK2 P24941 1/20 0.38
SLC13A5 Q86YT5 1/20 0.36
PLA2G7 Q13093 1/20 0.36
NR3C2 P08235 1/20 0.35
ITK Q08881 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL12093687 0.83 LOXL2 (0.65) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL31583016 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL22336235 0.81 LOXL2 (0.68) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL2497237 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL6218599 0.81 LOXL2 (0.73) LOXL2LOXFFAR1
SCHEMBL14486857 0.81 LOXL2 (0.62) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL2092744 0.81 LOXL2 (0.67) LOXL2LOXFFAR1GSK3BGSK3A
SCHEMBL14279344 0.80 LOX (0.53) LOXL2LOXFFAR1GSK3BGSK3A
Hydrochloric Acid SCHEMBL12802921 0.80 LOXL2 (0.71) LOXL2LOXGSK3BGSK3A
SCHEMBL2964822 0.80 LOXL2 (0.61) LOXL2LOXFFAR1SLC13A5PLA2G7

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2500345-B1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2015-01-28 EP disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 US disclosed
EP-2500345-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-09-19 EP disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
US-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-09-06 US disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 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-20120225876-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE HDAC10, HDAC11, HDAC1 LOXL2 3035/4885LOX 3400/4885FFAR1 887/4885

“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.