Sugi Predict

Sugi Predict / Compounds / SCHEMBL7706040

SCHEMBL7706040

SCHEMBL7706040

CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2nc(Cl)ccc2Br)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM1A O60341 2/20 0.38
▸ MAOB P27338 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ BTK Q06187 3/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ CACNB4 O00305 1/20 0.35
▸ CACNA1A O00555 1/20 0.35
▸ CACNA1G O43497 1/20 0.35
▸ CACNG3 O60359 1/20 0.35
▸ CACNA1F O60840 1/20 0.35
▸ CACNA1H O95180 1/20 0.35

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
SCHEMBL2633981 0.84 PIK3CD (0.47) PIK3CDKMT2AL3MBTL1KDM1AMAOB
SCHEMBL9985003 0.84 PDE10A (0.34) PIK3CDL3MBTL1
SCHEMBL9985000 0.84 PDE10A (0.34) PIK3CDL3MBTL1
SCHEMBL7696699 0.81 PIK3CD (0.44) PIK3CDKMT2AL3MBTL1KDM1AMAOB
SCHEMBL7697871 0.81 PIK3CD (0.44) PIK3CDKMT2AL3MBTL1KDM1AMAOB
SCHEMBL25309060 0.79 KMT2A (0.42) PIK3CDKMT2AL3MBTL1KDM1AMAOB
SCHEMBL30522776 0.79 KMT2A (0.42) PIK3CDKMT2AL3MBTL1KDM1AMAOB
SCHEMBL29814906 0.78 CACNB4 (0.41) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23090010 0.78 CACNB4 (0.41) PIK3CDCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL26180336 0.78 PIK3CD (0.52) PIK3CDKMT2AL3MBTL1KDM1AMAOB

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 PIK3CD 93/4885KMT2A 2027/4885L3MBTL1 3881/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PIK3CD 79/4885KMT2A 1997/4885L3MBTL1 3929/4885

“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.