SCHEMBL3490697

SCHEMBL3490697

O=C1CN(CC(=O)OCc2ccccc2)C(=O)CN1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GLA P06280 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
CDC25B P30305 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
PARP1 P09874 1/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 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
SCHEMBL14374083 0.85 MAPK1 (0.43) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL25426510 0.84 ALDH1A1 (0.54) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL6283036 0.82 MAPK1 (0.52) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
Hydrochloric Acid SCHEMBL7284424 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL14374089 0.80 KMT2A (0.43) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL6283032 0.80 GSK3A (0.56) ALDH1A1MAPK1L3MBTL1GLACYP1A2
SCHEMBL7277648 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL6507408 0.78 NPC1 (0.61) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL5155980 0.76 GLA (0.47) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2
SCHEMBL9708647 0.76 ALDH1A1 (0.51) ALDH1A1MAPK1L3MBTL1GLASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
EP-1087981-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 2001-04-04 EP disclosed
WO-1999065922-A2 PRENYL TRANSFERASE INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES S.A.S. (FR) 1999-12-23 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 (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-20030109559-A1 N-(3-amino-2-hydroxy-propyl)substituted alkylamide compounds BACE1, APP, BACE2 ALDH1A1 1479/4885MAPK1 3403/4885L3MBTL1 2535/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 ALDH1A1 1577/4885MAPK1 3559/4885L3MBTL1 2539/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 ALDH1A1 1577/4885MAPK1 3559/4885L3MBTL1 2539/4885

“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.