SCHEMBL18399278

SCHEMBL18399278

CC(C)(C)OC(=O)N1CCC(c2ccc3cnn(C4CCCCO4)c3c2)C(F)C1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 3/20 0.41
▸ GPR119 Q8TDV5 6/20 0.40
▸ CCNK O75909 1/20 0.39
▸ CDK12 Q9NYV4 1/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ HDAC4 P56524 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ USP30 Q70CQ3 1/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ TRPV3 Q8NET8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL18399048 1.00 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL28615466 1.00 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL18399297 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL28615478 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL21796618 0.91 PDE4B (0.41) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL21796635 0.87 RXRA (0.45) RXRARXRBRXRG
SCHEMBL22873547 0.87 GPR119 (0.40) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL28610193 0.87 GPR119 (0.40) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL18399199 0.87 GPR119 (0.40) PDE4BGPR119CCNKCDK12RXRA
SCHEMBL18398983 0.86 LRRK2 (0.40) PDE4BGPR119CCNKCDK12RXRA

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
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-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 (1 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 PDE4B 1409/4885GPR119 983/4885CCNK 629/4885

“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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