Sugi Predict

Sugi Predict / Compounds / SCHEMBL7706767

SCHEMBL7706767

SCHEMBL7706767

CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2nc(Cl)ccc2C2=CCOCC2)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.56
▸ PIK3CD O00329 2/20 0.39
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ BTK Q06187 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32

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
SCHEMBL9985759 0.87 PDE10A (0.60) PDE10APIK3CD
SCHEMBL9985754 0.87 PDE10A (0.60) PDE10APIK3CD
SCHEMBL2634479 0.87 PDE10A (0.42) PDE10APIK3CDKMT2AL3MBTL1PIK3R1
SCHEMBL7701875 0.85 PDE10A (0.43) PDE10APIK3CDKMT2AL3MBTL1EPHX2
SCHEMBL7700088 0.80 PIK3CD (0.40) PDE10APIK3CDPIK3R1PIK3CABTK
SCHEMBL7698839 0.80 PIK3CD (0.40) PDE10APIK3CDKMT2AL3MBTL1PIK3R1
Hydrochloric Acid SCHEMBL9986468 0.78 PDE10A (0.61) PDE10A
SCHEMBL9985712 0.78 PDE10A (0.61) PDE10A
Hydrochloric Acid SCHEMBL9986466 0.78 PDE10A (0.61) PDE10A
SCHEMBL7705333 0.78 PDE10A (0.61) PDE10A

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
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 — — US disclosed
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 — — US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 — — US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 — — US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 — — US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 — — 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 (2 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 PDE10A 1/4885PIK3CD 93/4885KMT2A 2027/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PDE10A 1/4885PIK3CD 79/4885KMT2A 1997/4885

“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.