SCHEMBL2592513

SCHEMBL2592513

NC[C@]1(CC(=O)O)CC2CC[C@H]2C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
TSHR P16473 1/20 0.53
BLM P54132 1/20 0.53
CACNA2D1 P54289 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.34
HSD11B1 P28845 1/20 0.33
GRM1 Q13255 2/20 0.32
GRM2 Q14416 2/20 0.31
GRM5 P41594 1/20 0.31
GLRA1 P23415 1/20 0.31
SLC6A9 P48067 1/20 0.31
OR51E2 Q9H255 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
SCHEMBL6056234 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL588716 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL12021394 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL6026034 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL5388086 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL23355288 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL3152370 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
SCHEMBL122049 1.00 CYP1A2 (0.53) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6056323 0.98 CYP1A2 (0.52) CYP1A2USP2ALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL5390370 0.98 CYP1A2 (0.52) CYP1A2USP2ALDH1A1LMNATSHR

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 EP claimed
EP-1515709-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING ATTENTION DEFICIT HYPERACTIVITY DISORDER Warner-Lambert Company LLC (US) 2005-03-23 EP claimed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO claimed
WO-2004002462-A2 USE OF AN ALPHA2DELTA LIGAND SUCH AS GABAPENTIN OR PREGABALIN FOR TREATING TTENTION DEFICIT HYPERACTIVITY DISORDER WARNER-LAMBERT COMPANY LLC (US) 2004-01-08 WO claimed
WO-2024123815-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED TETRAHYDROFURAN MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-13 WO disclosed
EP-4347031-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347032-A1 SUBSTITUTED TETRAHYDROFURAN-2-CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347033-A1 HYDROXY AND (HALO)ALKOXY SUBSTITUTED TETRAHYDROFURANS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4346818-A1 SOLID DOSAGE FORMS AND DOSING REGIMENS COMPRISING (2R,3S,4S,5R)-4-[[3-(3,4-DIFLUORO-2-METHOXY-PHENYL)-4,5-DIMETHYL-5-(TRIFLUOROMETHYL) TETRAHYDROFURAN-2-CARBONYL]AMINO]PYRIDINE-2-CARBOXAMIDE Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347584-A1 N-(HYDROXYALKYL (HETERO)ARYL) TETRAHYDROFURAN CARBOXAMIDE ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
EP-4347583-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS Vertex Pharmaceuticals Incorporated (US) 2024-04-10 EP disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
EP-1675582-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS Warner-Lambert Company LLC (US) 2006-07-05 EP disclosed
EP-1667722-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS Pfizer Limited (GB) 2006-06-14 EP disclosed
WO-2005092318-A1 COMBINATIONS COMPRISING ALPHA-2-DELTA LIGANDS PFIZER LIMITED (GB) 2005-10-06 WO disclosed
EP-1536782-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN Pfizer Limited (GB) 2005-06-08 EP disclosed
WO-2005027975-A1 COMBINATIONS OF ALPHA-2-DELTA LIGANDS AND ACETYLCHOLINESTERASE INHIBITORS PFIZER LIMITED (GB) 2005-03-31 WO disclosed
WO-2005025563-A1 COMBINATION COMPRISING AN ALPHA-2-DELTA LIGAND AND AN SSRI AND/OR SNRI FOR TREATMENT OF DEPRESSION AND ANXIETY DISORDERS WARNER-LAMBERT COMPANY LLC (US) 2005-03-24 WO disclosed
WO-2005002585-A1 COMBINATION OF AN ALLOSTERIC INHIBITOR OF MATRIX METALLOPROTEINASE-13 AND A LIGAND TO AN ALPHA-2-DELTA RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2005-01-13 WO disclosed
WO-2004016259-A1 SYNERGISTIC COMBINATION OF AN ALPHA-2-DELTA LIGAND AND A PDEV INHIBITOR FOR USE IN THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2004-02-26 WO disclosed