SCHEMBL18399201

SCHEMBL18399201

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ RXRG P48443 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ MALT1 Q9UDY8 1/20 0.37
▸ KRAS P01116 1/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP4F2 P78329 1/20 0.35
▸ CYP4A11 Q02928 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE2A O00408 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ EPHA2 P29317 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
SCHEMBL18399307 0.88 GPR119 (0.45) RXRARXRBRXRGGPR119MEN1
SCHEMBL21796571 0.87 RXRA (0.46) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL21796615 0.86 GPR119 (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL22723340 0.86 GPR119 (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL20437475 0.86 GPR119 (0.40) RXRARXRBRXRGGPR119KRAS
SCHEMBL18398983 0.86 LRRK2 (0.40) RXRARXRBRXRGGPR119LRRK2
SCHEMBL28610255 0.86 LRRK2 (0.40) RXRARXRBRXRGGPR119LRRK2
SCHEMBL20437352 0.86 LRRK2 (0.40) RXRARXRBRXRGGPR119LRRK2
SCHEMBL22873493 0.84 RXRA (0.40) RXRARXRBRXRGGPR119LRRK2
SCHEMBL18399060 0.84 RXRA (0.40) RXRARXRBRXRGGPR119LRRK2

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 5 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-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.

Send feedback