SCHEMBL18399134

SCHEMBL18399134

Cc1cc2cnn(C3CCCCO3)c2cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.43
PIK3CD O00329 17/20 0.43
PIK3CA P42336 1/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL18398984 1.00 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL21796807 1.00 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL21796806 1.00 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL21796648 1.00 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL21796698 0.96 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL18399047 0.96 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL18398970 0.96 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL21797080 0.96 PDE4B (0.43) PDE4BPIK3CDPIK3CAGPR119
SCHEMBL18399075 0.94 RXRA (0.41) PDE4BPIK3CDGPR119
SCHEMBL21797117 0.89 RXRA (0.44) PDE4BPIK3CD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 US disclosed
EP-3325449-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-05-30 EP disclosed
WO-2017012576-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-26 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 PDE4B 1409/4885PIK3CD 424/4885PIK3CA 449/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 PDE4B 2282/4885PIK3CD 668/4885PIK3CA 791/4885

“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.