SCHEMBL18398917

SCHEMBL18398917

Cc1cc2cnn(C3CCCCO3)c2cc1CC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.61
RXRB P28702 1/20 0.61
RXRG P48443 1/20 0.61
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ATR Q13535 6/20 0.34
PDE8B O95263 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
GAA P10253 1/20 0.32
IDH1 O75874 2/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL18399117 0.89 RXRA (0.52) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18399068 0.87 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18399322 0.82 RXRA (0.46) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1026680 0.82 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20437571 0.81 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21796850 0.80 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1026231 0.80 RXRA (0.53) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL18399086 0.80 RXRA (0.44) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22912884 0.80 RXRA (0.73) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL21243909 0.79 RXRA (0.48) RXRARXRBRXRGCYP4F2CYP4A11

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 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.