SCHEMBL1266027

SCHEMBL1266027

NC1CCc2ncccc2C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.55
DRD2 P14416 5/20 0.51
DRD3 P35462 5/20 0.51
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
OPRK1 P41145 1/20 0.40
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5051400 1.00 PLAU (0.55) PLAUDRD2DRD3GRIN1GRIN2B
SCHEMBL29668981 1.00 PLAU (0.55) PLAUDRD2DRD3GRIN1GRIN2B
SCHEMBL3310824 0.85 PLAU (0.55) PLAUDRD2DRD3GRIN1GRIN2B
SCHEMBL30279709 0.85 PLAU (0.55) PLAUDRD2DRD3GRIN1GRIN2B
SCHEMBL369136 0.82 PLAU (0.41) PLAUDRD2DRD3
Hydrochloric Acid SCHEMBL27034209 0.81 DRD2 (0.40) PLAUDRD2DRD3
SCHEMBL2463278 0.79 CYP2D6 (0.44) PLAUDRD2DRD3OPRK1
SCHEMBL8267166 0.78 DRD2 (0.55) DRD2DRD3GRIN1GRIN2BHSD17B10
SCHEMBL14819902 0.78 DRD2 (0.51) DRD2DRD3GRIN1GRIN2BOPRK1
SCHEMBL22791667 0.78 DRD2 (0.51) DRD2DRD3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US claimed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 CN claimed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US claimed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP claimed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP claimed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US claimed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 WO claimed
US-11992494-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-05-28 US disclosed
EP-3558310-B1 HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME LLC (US) 2024-01-17 EP disclosed
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-22 US disclosed
CN-110325531-B Benzenesulfonamides and their use as therapeutic agents 泽农医药公司 2022-05-27 CN disclosed
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2021-11-16 US disclosed
US-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene BRISTOL-MYERS SQUIBB COMPANY 2006-05-25 US disclosed
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2005-04-14 US disclosed
EP-1487795-A4 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC (CA) 2005-02-09 EP disclosed
EP-1487795-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2004-12-22 EP disclosed
US-6825351-B2 SELECTIVE HYDROGENATION OF AMINO-SUBSTITUTED FUSED BICYCLIC AROMATIC RING SYSTEM, PREPARATION OF RACEMIC AMINO SUBSTITUTED FUSED BICYCLIC RING SYSTEM VIA NITROSATION, ENZYMATIC RESOLUTION OF RACEMIC MIXTURE TO PRODUCE (R)- AND (S)-FORMS ANORMED, INC. (CA) 2004-11-30 US disclosed
US-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED CORPORATION (CA) 2003-06-19 US disclosed
WO-2003022785-A2 SYNTHESIS OF ENANTIOMERICALLY PURE AMINO-SUBSTITUTED FUSED BICYCLIC RINGS ANORMED INC. (CA) 2003-03-20 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 (8 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-20030114679-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 PLAU 4255/4885DRD2 1371/4885DRD3 1315/4885
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 PLAU 4820/4885DRD2 74/4885DRD3 141/4885
US-11992494-B2 Cyclopentathiophene carboxamide derivatives as platelet activating factor receptor antagonists PTAFR, PDGFRA, PDGFRB PLAU 777/4885DRD2 2388/4885DRD3 2931/4885
US-11174268-B2 Benzenesulfonamide compouds and their use as therapeutic agents KCND2, SCN1A, CACNA1D PLAU 3413/4885DRD2 366/4885DRD3 468/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 PLAU 4255/4885DRD2 1371/4885DRD3 1315/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 PLAU 4255/4885DRD2 1371/4885DRD3 1315/4885
US-20230190763-A1 Cyclopentathiophene Carboxamide Derivatives as Platelet Activating Factor Receptor Antagonists PTAFR, PDGFRA, PDGFRB PLAU 777/4885DRD2 2388/4885DRD3 2931/4885
US-20060111413-A1 Antidiabetic agents, anticancer, non-cardiac ischemia, infection, hypertension, obesity and dislipidemia; 3-(5-chloroindole-2-carbonylamino)-2-hydroxy-1,2,3,4-tetrahydronaphthalene PYGM, PON1, GYS1 PLAU 1519/4885DRD2 4418/4885DRD3 3521/4885

“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.