SCHEMBL21796571

SCHEMBL21796571

Cc1cc2cnn(C3CCCCO3)c2cc1C1CN(C(=O)O)CCO1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.46
▸ RXRB P28702 1/20 0.46
▸ RXRG P48443 1/20 0.46
▸ LRRK2 Q5S007 3/20 0.40
▸ PDE2A O00408 15/20 0.39
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38

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
SCHEMBL18399201 0.87 RXRA (0.40) RXRARXRBRXRGLRRK2PDE2A
SCHEMBL21796642 0.86 RXRA (0.48) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL22723516 0.85 RXRA (0.44) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796464 0.84 RXRA (0.47) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL28610289 0.84 RXRA (0.47) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21797139 0.84 RXRA (0.44) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL28604377 0.83 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796750 0.83 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796688 0.82 RXRA (0.47) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21797150 0.81 RXRA (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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 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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