SCHEMBL2633981

SCHEMBL2633981

CC(C)(C)OC(=O)NC1CC(Oc2nc(Cl)ncc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.47
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BTK Q06187 4/20 0.38
JAK3 P52333 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
EIF2AK4 Q9P2K8 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
EPHX2 P34913 1/20 0.34
JAK1 P23458 3/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
JAK2 O60674 1/20 0.34
CDK9 P50750 1/20 0.33

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
SCHEMBL7706040 0.84 PIK3CD (0.44) PIK3CDKMT2AL3MBTL1BTKJAK3
SCHEMBL2634656 0.83 PIK3CD (0.35) PIK3CDBTK
SCHEMBL18101480 0.81 PIK3CD (0.43) PIK3CDKMT2AL3MBTL1BTKJAK3
SCHEMBL26180336 0.81 PIK3CD (0.52) PIK3CDKMT2AL3MBTL1BTKJAK3
SCHEMBL16524018 0.80 BTK (0.46) PIK3CDSTK17BSTK17AKMT2AL3MBTL1
SCHEMBL2634479 0.78 PDE10A (0.42) PIK3CDSTK17BSTK17AKMT2AL3MBTL1
SCHEMBL7701039 0.78 PIK3CD (0.46) PIK3CDKMT2AL3MBTL1BTKJAK3
SCHEMBL7700876 0.78 PIK3CD (0.46) PIK3CDKMT2AL3MBTL1BTKJAK3
SCHEMBL7694399 0.78 PIK3CD (0.45) PIK3CDKMT2AL3MBTL1BTKCKS1B
SCHEMBL14230902 0.77 PIK3CD (0.44) PIK3CD

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 12 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-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-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
EP-2569306-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP 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
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
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 93/4885STK17B 3373/4885STK17A 2930/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PIK3CD 79/4885STK17B 3355/4885STK17A 2876/4885

“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.