SCHEMBL21797139

SCHEMBL21797139

Cc1cc2cnn(C3CCCCO3)c2cc1C1CCN(C(=O)O)CC1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.44
▸ RXRB P28702 1/20 0.44
▸ RXRG P48443 1/20 0.44
▸ LRRK2 Q5S007 10/20 0.42
▸ CYP4F2 P78329 2/20 0.36
▸ CYP4A11 Q02928 2/20 0.36
▸ ABL1 P00519 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ ATR Q13535 2/20 0.31
▸ SPR P35270 1/20 0.31
▸ KDM5A P29375 1/20 0.31

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
SCHEMBL21796750 0.94 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796835 0.91 RXRA (0.45) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL22723516 0.90 RXRA (0.44) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL20437352 0.88 LRRK2 (0.40) RXRARXRBRXRGLRRK2LMNA
SCHEMBL28610255 0.88 LRRK2 (0.40) RXRARXRBRXRGLRRK2LMNA
SCHEMBL18398983 0.88 LRRK2 (0.40) RXRARXRBRXRGLRRK2LMNA
SCHEMBL21796642 0.86 RXRA (0.48) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL28604377 0.84 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796571 0.84 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796635 0.83 RXRA (0.45) RXRARXRBRXRGLRRK2CYP4F2

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 7 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-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 — — US disclosed
US-20210130339-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-06 — — 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 RXRA 4584/4885RXRB 4530/4885RXRG 4371/4885
US-20210130339-A1 COMPOUNDS LRRK2, PARK7, PINK1 RXRA 4584/4885RXRB 4530/4885RXRG 4371/4885
US-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 RXRA 4707/4885RXRB 4550/4885RXRG 4468/4885
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 RXRA 4652/4885RXRB 4413/4885RXRG 4409/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 RXRA 4559/4885RXRB 4482/4885RXRG 4308/4885

“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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