SCHEMBL31084394

SCHEMBL31084394

CC(C)(C)OC(=O)N1CC[C@H](c2cc3c(cnn3[C@@H]3CCCCO3)cc2Cl)[C@@H](F)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 6/20 0.39
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ KRAS P01116 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ NPBWR1 P48145 1/20 0.34
▸ MCHR1 Q99705 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
SCHEMBL18399199 0.92 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL28610193 0.92 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL22873547 0.92 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL18398983 0.91 LRRK2 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL31084354 0.91 GPR119 (0.39) GPR119RXRARXRBRXRGCCNK
SCHEMBL20437352 0.91 LRRK2 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL28610255 0.91 LRRK2 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL22723391 0.87 GPR119 (0.44) GPR119RXRARXRBRXRGLMNA
SCHEMBL18399278 0.85 PDE4B (0.41) GPR119RXRARXRBRXRGCCNK
SCHEMBL18399048 0.85 PDE4B (0.41) GPR119RXRARXRBRXRGCCNK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030872-B2 N-heteroaryl indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2024-07-09 — — 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 (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-12030872-B2 N-heteroaryl indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, CLK2, BRSK2 GPR119 827/4885RXRA 4256/4885RXRB 3981/4885

“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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