SCHEMBL16985254

SCHEMBL16985254

COc1c(N)cnn1C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
PDE1C Q14123 11/20 0.39
PDE1B Q01064 10/20 0.39
PDE1A P54750 9/20 0.39
CTSE P14091 1/20 0.38
BACE1 P56817 1/20 0.38
ALOX15 P16050 1/20 0.36
PDE9A O76083 1/20 0.34

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
SCHEMBL5021081 0.79 LRRK2 (0.43) PDE4DPDE1CPDE1BPDE1AALOX15
SCHEMBL7886968 0.78 ALOX15 (0.44) PDE4DPDE1CPDE1BPDE1AALOX15
SCHEMBL15651475 0.78 ALOX15 (0.39) ALOX15
SCHEMBL16985266 0.77 TXNRD1 (0.43) PDE4DPDE1CPDE1BPDE1A
SCHEMBL5021106 0.76 PDE4D (0.43) PDE4DPDE1CPDE1BPDE1AALOX15
SCHEMBL16985290 0.74 LRRK2 (0.39) PDE4DPDE1CPDE1BPDE1AALOX15
SCHEMBL25753092 0.74 PIK3CD (0.41) PDE4DPDE1CPDE1BPDE1APDE9A
SCHEMBL30498066 0.74 PIK3CD (0.41) PDE4DPDE1CPDE1BPDE1APDE9A
SCHEMBL28577114 0.72 PDE4D (0.43) PDE4DPDE1CPDE1BPDE1ABACE1
SCHEMBL5021101 0.70 LRRK2 (0.39) PDE4DPDE1CPDE1BPDE1AALOX15

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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-04-14 US disclosed
EP-3099695-B1 COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-04-08 EP disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
US-20170015668-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-19 US disclosed
WO-2015113452-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-08-06 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-10618901-B2 LRRK2 inhibitors for the treatment of Parkinson's disease LRRK2, PARK7, PINK1 PDE4D 2789/4885PDE1C 2985/4885PDE1B 2511/4885
US-20170015668-A1 COMPOUNDS LRRK2, PARK7, PINK1 PDE4D 2463/4885PDE1C 3722/4885PDE1B 3415/4885

“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.