SCHEMBL29538787

SCHEMBL29538787

CC1(O)[C@@H]2CC[C@H]1CN(c1cc3c(cnn3C3CCCCO3)cc1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ LRRK2 Q5S007 9/20 0.37
▸ CYP4F2 P78329 2/20 0.35
▸ CYP4A11 Q02928 2/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATR Q13535 5/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ YTHDC1 Q96MU7 1/20 0.31

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
SCHEMBL22765293 1.00 RXRA (0.43) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL20424070 0.86 LRRK2 (0.45) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL20424063 0.84 LRRK2 (0.49) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL22749867 0.79 LRRK2 (0.40) RXRARXRBRXRGLRRK2DGAT2
SCHEMBL21796742 0.79 RXRA (0.41) RXRARXRBRXRGLRRK2ALDH1A1
SCHEMBL22750191 0.78 LRRK2 (0.54) RXRARXRBRXRGLRRK2ABCG2
SCHEMBL30535663 0.77 RXRA (0.48) RXRARXRBRXRGLRRK2CYP4F2
SCHEMBL20437685 0.77 RXRA (0.51) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL22749844 0.77 RXRA (0.43) RXRARXRBRXRGLRRK2ALDH1A1
SCHEMBL29796145 0.76 GPR119 (0.42) RXRARXRBRXRGLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3980412-B1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-13 — — EP disclosed
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2025-06-03 — — US disclosed
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-08-18 — — US disclosed
EP-3980412-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2022-04-13 — — EP 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-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, PARK7, BRSK2 RXRA 4265/4885RXRB 4153/4885RXRG 4006/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 RXRA 4265/4885RXRB 4153/4885RXRG 4006/4885

“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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