SCHEMBL20437644

SCHEMBL20437644

Cc1cc2cnn(C3CCCCO3)c2cc1C1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 4/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ KRAS P01116 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ THRB P10828 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 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
SCHEMBL21797150 0.88 RXRA (0.44) RXRARXRBRXRGLMNAATR
SCHEMBL18399307 0.88 GPR119 (0.45) GPR119RXRARXRBRXRGMEN1
SCHEMBL21796615 0.83 GPR119 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL22723340 0.83 GPR119 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL20437475 0.83 GPR119 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL18399201 0.83 RXRA (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL20437352 0.83 LRRK2 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL18398983 0.83 LRRK2 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL28610255 0.83 LRRK2 (0.40) GPR119RXRARXRBRXRGKRAS
SCHEMBL23297768 0.82 RXRA (0.41) GPR119RXRARXRBRXRGKRAS

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
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-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 — — US disclosed
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 — — US disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 — — US disclosed
WO-2018137593-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-02 — — 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 (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-10858367-B2 Compounds LRRK2, PARK7, PINK1 GPR119 2271/4885RXRA 4584/4885RXRB 4530/4885
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 GPR119 983/4885RXRA 4652/4885RXRB 4413/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 GPR119 1671/4885RXRA 4559/4885RXRB 4482/4885

“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.

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