SCHEMBL1583540

SCHEMBL1583540

CCCCN1CCN(C(=O)OC(C)(C)C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.40
TLR8 Q9NR97 1/20 0.40
NR1H2 P55055 2/20 0.40
P2RX7 Q99572 1/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 2/20 0.39
ESR2 Q92731 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ADORA1 P30542 1/20 0.37
TPSAB1 Q15661 3/20 0.37
TPSD1 Q9BZJ3 3/20 0.37
TPSG1 Q9NRR2 3/20 0.37
DTYMK P23919 1/20 0.36
PDE4B Q07343 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
SCHEMBL24072420 0.95 PLA2G2A (0.44) CNR2TLR8NR1H2P2RX7USP2
SCHEMBL7587617 0.95 PLA2G2A (0.44) CNR2TLR8NR1H2P2RX7USP2
SCHEMBL1583253 0.92 P2RX7 (0.46) CNR2NR1H2P2RX7USP2SMN1; SMN2
SCHEMBL7982635 0.88 NR1H2 (0.40) NR1H2USP2SMN1; SMN2ESR2ALDH1A1
SCHEMBL18205300 0.88 NR1H2 (0.39) NR1H2USP2SMN1; SMN2ESR2ALDH1A1
SCHEMBL29646565 0.86 NR1H2 (0.39) CNR2NR1H2USP2SMN1; SMN2ESR2
SCHEMBL12523828 0.86 P2RX7 (0.43) NR1H2P2RX7USP2SMN1; SMN2ESR2
SCHEMBL21520542 0.86 DDB1 (0.39) NR1H2USP2SMN1; SMN2ESR2ALDH1A1
SCHEMBL4005175 0.86 NR1H2 (0.41) NR1H2USP2SMN1; SMN2ESR2ALDH1A1
SCHEMBL3635546 0.85 P2RX7 (0.45) NR1H2P2RX7USP2SMN1; SMN2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041713-A2 PIPERAZINYL ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-07 WO disclosed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS GAILUNAS ANDREA 2010-02-25 US disclosed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP disclosed
EP-1409450-B1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARM INC (US) 2009-12-09 EP disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-7589094-B2 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
CN-101068772-A N-(3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARM INC (US) 2007-11-07 CN disclosed
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARMACEUTICALS, INC. 2006-08-31 US disclosed
EP-1409450-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS Elan Pharmaceuticals, Inc. (US) 2004-04-21 EP disclosed
US-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds PHARMACIA & UPJOHN COMPANY 2003-06-12 US disclosed
WO-2003006423-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2003-01-23 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 (4 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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 CNR2 1085/4885TLR8 4881/4885NR1H2 448/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 CNR2 1148/4885TLR8 4880/4885NR1H2 420/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 CNR2 1148/4885TLR8 4880/4885NR1H2 420/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 CNR2 525/4885TLR8 1286/4885NR1H2 3103/4885

“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.