SCHEMBL5053503

SCHEMBL5053503

CC(=O)Nc1nccc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
LNPEP Q9UIQ6 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
TSHR P16473 1/20 0.37
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL20366365 0.82 NOS3 (0.43) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL21879335 0.80 KCNQ2 (0.43) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL19965938 0.78 NOS3 (0.53) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL21401838 0.77 PTPN1 (0.40) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL16652047 0.77 ATR (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL30297976 0.77 ATR (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL2480680 0.74 NOS3 (0.58) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL22020965 0.74 NOS3 (0.48) NOS3NOS1NOS2ALDH1A1NPC1
SCHEMBL16660696 0.70 NOS3 (0.48) NOS3NOS1NOS2SMN1; SMN2LNPEP
SCHEMBL11465233 0.70 LMNA (0.41) NOS3NOS2ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101353324-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2009-01-28 CN disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
US-7452994-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED, INC. (CA) 2008-11-18 US disclosed
CN-100412062-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2008-08-20 CN disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US disclosed
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2007-03-15 US disclosed
US-7135570-B2 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC. (CA) 2006-11-14 US disclosed
CN-1272322-C Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-30 CN disclosed
CN-1817864-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2006-08-16 CN disclosed
CN-1608052-A Synthesis of enantiomerically pure amino-substituted fused bicyclic rings ANORMED INC (CA) 2005-04-20 CN 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 (3 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 NOS3 56/4885NOS1 31/4885NOS2 47/4885
US-20070060757-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 NOS3 56/4885NOS1 31/4885NOS2 47/4885
US-20050080267-A1 Synthesis of enantiomerically pure amino-substituted fused bicyclic rings CBR1, POR, CBR3 NOS3 56/4885NOS1 31/4885NOS2 47/4885

“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.