Sugi Predict

Sugi Predict / Compounds / SCHEMBL23580964

SCHEMBL23580964

SCHEMBL23580964

O=C(c1ncc(Br)cc1Cl)N1CC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 2/20 0.39
▸ LRRK2 Q5S007 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ HCRTR1 O43613 2/20 0.34
▸ HCRTR2 O43614 2/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ BACE2 Q9Y5Z0 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ OPRK1 P41145 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ HTR2A P28223 1/20 0.32

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
SCHEMBL23580701 0.83 PDE4A (0.41) HCRTR1HCRTR2ADORA2AOPRK1ADORA3
SCHEMBL23580788 0.82 RORC (0.41) RORCLRRK2MAP4K1HCRTR1HCRTR2
SCHEMBL15765229 0.78 HPGD (0.51) LRRK2HTTHPGD
SCHEMBL23580118 0.72 PDK2 (0.39) RORCMAP4K1PDK2ADORA2AADORA2B
SCHEMBL17224852 0.72 PLAU (0.44) PLAUBACE1HTTALDH1A1HPGD
SCHEMBL362121 0.72 ALDH1A1 (0.47) PLAUALDH1A1HPGD
SCHEMBL29837373 0.72 ALDH1A1 (0.47) PLAUALDH1A1HPGD
SCHEMBL18483777 0.72 PLAU (0.39) PLAUOPRK1
SCHEMBL23581040 0.72 PLAU (0.39) MAP4K1PLAUBACE1HTTALDH1A1
SCHEMBL13119985 0.71 PLAU (0.51) PLAUBACE1BACE2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945571-B Cyclic compounds and methods of use thereof 薛定谔公司 2025-02-25 — — CN disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
US-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 — — US disclosed
EP-4081526-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME Schrödinger, Inc. (US) 2022-11-02 — — EP disclosed
CN-114945571-A Cyclic compounds and methods of use thereof 薛定谔公司 2022-08-26 — — CN disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — WO disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 — — 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A RORC 623/4885LRRK2 2825/4885MAP4K1 1925/4885

“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.