SCHEMBL2539997

SCHEMBL2539997

O=C1CCN1C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
MAPK1 P28482 2/20 0.53
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.50
NOTUM Q6P988 1/20 0.49
HTR2C P28335 1/20 0.48
CTRB1 P17538 1/20 0.48
P2RX4 Q99571 2/20 0.48
ALDH1A1 P00352 3/20 0.47
P2RX1 P51575 1/20 0.47
P2RX3 P56373 1/20 0.47
PARP1 P09874 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL520065 0.91 NPC1 (0.59) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL520364 0.89 NPC1 (0.58) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL31350203 0.88 NPC1 (0.57) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL19491933 0.86 MEN1 (0.64) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL29235094 0.85 NPC1 (0.61) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL22638725 0.84 NPC1 (0.63) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL20122609 0.82 NPC1 (0.53) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL7326923 0.81 NPC1 (0.50) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL3767544 0.81 NPC1 (0.52) NPC1RAB9AL3MBTL1KMT2AMEN1
SCHEMBL31552050 0.80 NPC1 (0.49) NPC1RAB9AL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104892582-B Azetidine as the mek inhibitor for treating proliferative disease 埃克塞利希斯股份有限公司 2019-09-27 CN disclosed
US-8044103-B2 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2011-10-25 US disclosed
US-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders KOZIKOWSKI ALAN P 2007-07-12 US disclosed
US-7202279-B1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders GEORGETOWN UNIVERSITY (US) 2007-04-10 US disclosed
EP-1061936-A4 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS UNIV GEORGETOWN (US) 2005-03-09 EP disclosed
EP-1061936-A1 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS GEORGETOWN UNIVERSITY (US) 2000-12-27 EP disclosed
WO-1999040931-A1 CYCLIC DIPEPTIDES AND AZETIDINONE COMPOUNDS AND THEIR USE IN TREATING CNS INJURY AND NEURODEGENERATIVE DISORDERS GEORGETOWN UNIVERSITY (US) 1999-08-19 WO disclosed
US-5068331-A Certain (2-carboxy or 2-propenoic or 2-carbonyl)-3-halo-4,5-dioxy pyridine intermediates and the corresponding 1,4-dihydro-4-pyridones) E. R. SQUIBB & SONS, INC. (US) 1991-11-26 US disclosed
US-4959470-A 2-oxo-[[(substituted sulfonyl)-amino]carbonyl]-azetidines E. R. SQUIBB & SONS, INC. (US) 1990-09-25 US 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 (1 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-20070161640-A1 Cyclic dipeptides and azetidinone compounds and their use in treating CNS injury and neurodegenerative disorders BDNF, PMP22, ADAM17 NPC1 1247/4885RAB9A 2790/4885L3MBTL1 2750/4885

“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.