SCHEMBL22749844

SCHEMBL22749844

Clc1cc2cnn(C3CCCCO3)c2cc1N1CCCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ ATR Q13535 2/20 0.40
▸ CHRNB2 P17787 4/20 0.38
▸ CHRNA4 P43681 4/20 0.38
▸ CHRNA1 P02708 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ CCND2 P30279 1/20 0.35
▸ CCND3 P30281 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTR1A P08908 2/20 0.34
▸ HTR1D P28221 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR2B P41595 2/20 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
SCHEMBL22749866 0.84 LRRK2 (0.48) RXRARXRBRXRGATRCDK4
SCHEMBL21796742 0.82 RXRA (0.41) RXRARXRBRXRGATRALDH1A1
SCHEMBL20424070 0.81 LRRK2 (0.45) RXRARXRBRXRGATRALDH1A1
SCHEMBL22750191 0.79 LRRK2 (0.54) RXRARXRBRXRGLRRK2
SCHEMBL24121451 0.79 RXRA (0.46) RXRARXRBRXRGATRALDH1A1
SCHEMBL20424063 0.77 LRRK2 (0.49) RXRARXRBRXRGATRALDH1A1
SCHEMBL29796145 0.77 GPR119 (0.42) RXRARXRBRXRGLMNA
SCHEMBL22749636 0.77 GPR119 (0.42) RXRARXRBRXRGLMNA
SCHEMBL25340718 0.77 ATR (0.44) RXRARXRBRXRGATRCDK4
SCHEMBL22765293 0.77 RXRA (0.43) RXRARXRBRXRGATRALDH1A1

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 6 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
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 — — WO disclosed
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 — — 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-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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