SCHEMBL25251941

SCHEMBL25251941

O=C(O)CC12CC(F)(C1)C2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.47
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.34
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
BLM P54132 1/20 0.32
CACNA2D1 P54289 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA5 P31644 1/20 0.31
GABRB2 P47870 1/20 0.31
HSD11B1 P28845 2/20 0.30

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
SCHEMBL2436799 0.83 GRM1 (0.60) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL30932376 0.80 OR51E2 (0.32) GRM1
SCHEMBL30281342 0.77 GRM1 (0.32) GRM1
SCHEMBL17586294 0.74 GRM1 (0.47) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL29772200 0.74 GRM1 (0.52) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL17582384 0.73 GRM1 (0.42) GRM1POLBCYP2C19
SCHEMBL14571709 0.72 GRM1 (0.50) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL12858244 0.72 GRM1 (0.45) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL7530245 0.70 GRM1 (0.48) GRM1POLBCYP2C19TSHRALDH1A1
SCHEMBL30559862 0.70 GRM1 (0.48) GRM1POLBCYP2C19TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720035-A1 LIPID COMPOUNDS, COMPOSITIONS, AND USES THEREOF LIBERATE BIO, INC. (US) 2026-04-08 EP disclosed
CN-119948023-A Regulator containing piperidine polycyclic derivative, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-05-06 CN disclosed
WO-2024249525-A1 LIPID COMPOUNDS, COMPOSITIONS, AND USES THEREOF LIBERATE BIO, INC. (US) 2024-12-05 WO disclosed
EP-4408530-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2024-08-07 EP disclosed
CN-118451079-A Benzopiperidine derivative modulators, methods of preparation and uses thereof 上海翰森生物医药科技有限公司 2024-08-06 CN disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
WO-2023049888-A1 BENZIMIDAZOLES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 WO disclosed