SCHEMBL3492650

SCHEMBL3492650

CCN1CCN(CC(=O)O)C(=O)C1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ POLB P06746 2/20 0.47
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ACE P12821 4/20 0.41
▸ CYP3A4 P08684 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ INMT O95050 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38

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
SCHEMBL2865650 0.89 CYP2D6 (0.50) GAAL3MBTL1POLBLMNACYP2D6
SCHEMBL12037127 0.83 CYP2D6 (0.56) GAAL3MBTL1POLBLMNACYP2D6
SCHEMBL12566554 0.82 GAA (0.48) GAAL3MBTL1POLBLMNASMN1; SMN2
SCHEMBL2245662 0.81 LMNA (0.40) GAAL3MBTL1POLBLMNASMN1; SMN2
SCHEMBL6169212 0.80 ALDH1A1 (0.46) GAAL3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL9328091 0.78 GAA (0.45) GAAL3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL2828076 0.77 GAA (0.49) GAAL3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL7148826 0.76 GAA (0.46) GAAL3MBTL1POLBSMN1; SMN2KMT2A
SCHEMBL19962102 0.75 CYP2D6 (0.66) POLBLMNACYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL8175432 0.75 ITGB3 (0.40) GAAPOLBLMNACYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 — — US disclosed
US-11332485-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-05-17 — — US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 — — US disclosed
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-21 — — US disclosed
CN-110959008-A Penicillin binding protein inhibitors 维纳拓尔斯制药公司 2020-04-03 — — CN disclosed
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 — — CN 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
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-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 — — CN disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 — — EP disclosed
CN-101068772-A N-(3-amino-2-hydroxy-propyl) substituted alkylamide compounds ELAN PHARM INC (US) 2007-11-07 — — CN disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 — — WO 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 (5 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 GAA 45/4885L3MBTL1 2535/4885POLB 663/4885
US-20060194817-A1 N- (3-amino-2-hydroxy-propyl) substituted alkylamide compounds BACE1, APP, BACE2 GAA 42/4885L3MBTL1 2539/4885POLB 603/4885
US-20200157123-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL GAA 345/4885L3MBTL1 455/4885POLB 2001/4885
US-20100048590-A1 N-(3-AMINO-2-HYDROXY-PROPYL) SUBSTITUTED ALKYLAMIDE COMPOUNDS BACE1, APP, BACE2 GAA 42/4885L3MBTL1 2539/4885POLB 603/4885
US-11332485-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL GAA 345/4885L3MBTL1 455/4885POLB 2001/4885

“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.

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