SCHEMBL9985677

SCHEMBL9985677

OCC1CCN(c2nccnc2OC2CC(Nc3ncc4ccccc4n3)C2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 20/20 1.00
PDE2A O00408 2/20 0.62
PDE1B Q01064 2/20 0.62
PDE4D Q08499 2/20 0.62

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
SCHEMBL12030800 1.00 PDE10A (1.00) PDE10APDE2APDE1BPDE4D
SCHEMBL2633973 1.00 PDE10A (1.00) PDE10APDE2APDE1BPDE4D
SCHEMBL7700929 0.86 PDE10A (0.76) PDE10APDE2APDE1BPDE4D
SCHEMBL2641409 0.86 PDE10A (0.76) PDE10APDE2APDE1BPDE4D
SCHEMBL2634226 0.86 PDE10A (0.76) PDE10APDE2APDE1BPDE4D
SCHEMBL2633978 0.85 PDE10A (1.00) PDE10A
SCHEMBL12030801 0.85 PDE10A (1.00) PDE10A
SCHEMBL2633980 0.85 PDE10A (1.00) PDE10A
SCHEMBL2631171 0.83 PDE10A (1.00) PDE10APDE2APDE1BPDE4D
SCHEMBL9985520 0.81 PDE10A (1.00) 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 claimed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US claimed
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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 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 (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 1/4885PDE2A 15/4885PDE1B 20/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A PDE10A 1/4885PDE2A 11/4885PDE1B 19/4885

“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.