SCHEMBL12094656

SCHEMBL12094656

COc1ccc(F)c(C(=O)N(C)OC)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.51
DYRK1A Q13627 1/20 0.51
DYRK1B Q9Y463 1/20 0.51
CPS1 P31327 5/20 0.44
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL30514003 0.87 CPS1 (0.55) CLK1DYRK1ADYRK1BCPS1MAPT
SCHEMBL12345357 0.85 CA12 (0.42) CLK1DYRK1ADYRK1BMAPTSMN1; SMN2
SCHEMBL28411038 0.85 KAT6A (0.47) CPS1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4007735 0.83 CES2 (0.53) CLK1DYRK1ADYRK1BMAPTHTT
SCHEMBL4093630 0.82 CLK1 (0.52) CLK1DYRK1ADYRK1BMAPTHTT
SCHEMBL4833864 0.82 MAPT (0.58) CLK1DYRK1ADYRK1BMAPTHTT
SCHEMBL29554674 0.82 PKM (0.45) HTTRAB9A
SCHEMBL12093236 0.82 MLYCD (0.39) CLK1DYRK1ADYRK1BCPS1MAPT
SCHEMBL19285067 0.82 PKM (0.45) HTTRAB9A
SCHEMBL20812224 0.81 CPS1 (0.42) CPS1MAPTHTTNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933229-B2 8-azabicyclo[3.2.1]octane-8-carboxamide derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-01-13 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

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 CLK1 4724/4885DYRK1A 3927/4885DYRK1B 4150/4885

“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.