SCHEMBL2634656

SCHEMBL2634656

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

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
ABL1 P00519 3/20 0.32
BCR P11274 3/20 0.32
PDE10A Q9Y233 1/20 0.30
BTK Q06187 1/20 0.30

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 0.83 PIK3CD (0.47) PIK3CDBTK
SCHEMBL9985000 0.81 PDE10A (0.34) PIK3CDPDE10A
SCHEMBL9985003 0.81 PDE10A (0.34) PIK3CDPDE10A
SCHEMBL9985901 0.76 PDE10A (0.44) PIK3CDPDE10A
SCHEMBL9984652 0.74 CNR1 (0.35) PIK3CDPDE10A
SCHEMBL9984647 0.74 CNR1 (0.35) PIK3CDPDE10A
SCHEMBL2634257 0.74 PDE10A (0.37) PIK3CDPDE10A
SCHEMBL9985833 0.74 PDE10A (0.37) PIK3CDPDE10A
SCHEMBL9985480 0.74 PDE10A (0.39) PDE10A
SCHEMBL2634068 0.74 PDE10A (0.39) 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 5 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-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
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 93/4885ABL1 3292/4885BCR 2393/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PIK3CD 79/4885ABL1 3055/4885BCR 2415/4885

“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.