SCHEMBL21889064

SCHEMBL21889064

Cc1nc(C2CCOCC2)n(C)n1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 1/20 0.42
PDE10A Q9Y233 3/20 0.40
AOC3 Q16853 2/20 0.39
PDE1B Q01064 8/20 0.38
PDE1A P54750 7/20 0.35
PDE1C Q14123 7/20 0.35
PDE2A O00408 2/20 0.31
BRD4 O60885 1/20 0.31
HSD11B1 P28845 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
SCHEMBL13844408 0.86 TDP2 (0.35) TDP2PDE10AAOC3
SCHEMBL27217252 0.80 TDP2 (0.38) TDP2PDE10AAOC3PDE1BPDE1A
SCHEMBL16787520 0.79 PDE10A (0.32) TDP2PDE10AAOC3
SCHEMBL21914583 0.71 AOC3 (0.57) AOC3PDE1BPDE1APDE1C
SCHEMBL27217142 0.68 PDE1B (0.40) TDP2PDE10APDE1BPDE1APDE1C
SCHEMBL9006723 0.67 PDE1B (0.41) TDP2PDE10AAOC3PDE1BPDE1A
SCHEMBL24746024 0.66 PDE2A (0.44) TDP2PDE2A
SCHEMBL27217103 0.66 PDE1B (0.38) TDP2PDE10APDE1BPDE1APDE1C
SCHEMBL27217041 0.66 PDE1B (0.57) PDE1BPDE1APDE1C
SCHEMBL27216987 0.64 PDE1B (0.40) TDP2PDE1BPDE1APDE1CBRD4

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
EP-3626699-B1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2023-07-12 EP disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-11001563-B2 SSAO inhibitor SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-11 US disclosed
US-20200115352-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO., LTD. 2020-04-16 US disclosed
EP-3626699-A1 SSAO INHIBITOR Shandong Danhong Pharmaceutical Co., Ltd. (CN) 2020-03-25 EP 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 (3 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-11001563-B2 SSAO inhibitor SSB, ASAH2, AOX1 TDP2 1964/4885PDE10A 1537/4885AOC3 53/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 TDP2 1964/4885PDE10A 1537/4885AOC3 53/4885
US-20200115352-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 TDP2 1964/4885PDE10A 1537/4885AOC3 53/4885

“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.