SCHEMBL2208957

SCHEMBL2208957

O=C(OCc1ccc(F)cc1)ON1C(=O)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP12 P39900 1/20 0.43
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
FAAH O00519 1/20 0.38
NR4A2 P43354 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL13065050 0.85 CCNE1 (0.36) MGLLLMNAKMT2AMEN1CYP1A2
SCHEMBL5357731 0.85 NAAA (0.43) MAPTKMT2AMEN1L3MBTL1POLB
SCHEMBL5354116 0.85 NAAA (0.43) MMP1MMP2MMP9MMP12LMNA
SCHEMBL1992162 0.85 MGLL (0.45) MGLLMMP1MMP2MMP9MMP12
SCHEMBL11323517 0.84 ALDH1A1 (0.47) LMNAKMT2AMEN1L3MBTL1NPC1
SCHEMBL142445 0.84 ALDH1A1 (0.47) LMNAKMT2AMEN1L3MBTL1NPC1
SCHEMBL2210246 0.84 MMP12 (0.46) MMP1MMP12KDM4ELMNAMAPT
SCHEMBL20203009 0.84 MGLL (0.37) MGLLKMT2AMEN1L3MBTL1CYP2C19
SCHEMBL15583432 0.84 CCNE1 (0.35) MGLLKMT2AMEN1L3MBTL1NPC1
SCHEMBL5963233 0.84 CA2 (0.43) LMNAKMT2AL3MBTL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2026-01-20 US disclosed
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2024-06-27 US disclosed
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2023-09-12 US disclosed
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2022-01-27 US disclosed
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-10-05 US disclosed
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-07-22 US disclosed
US-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2021-05-11 US disclosed
US-10849907-B2 Imidazopyridine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-01 US disclosed
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS RUGEN HOLDINGS (CAYMAN) LIMITED (KY) 2020-09-24 US disclosed
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists RUGEN HOLDINGS (CAYMAN) LIMITED (BM) 2020-03-10 US disclosed
EP-1379520-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2004-01-14 EP disclosed
US-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them AVENTIS PHARMA DEUTSCHLAND GMBH 2003-09-11 US disclosed
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists MERCK SHARP & DOHME CORP. 2003-06-26 US disclosed
US-6531495-B1 Potassium channel AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-03-11 US disclosed
WO-2002100352-A2 NR2B RECEPTOR ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF MIGRAINES MERCK & CO., INC. (US) 2002-12-19 WO disclosed
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists MERCK SHARP & DOHME LLC 2002-11-07 US disclosed
WO-2002080928-A1 N-SUBSTITUTED NONARYL-HETEROCYCLO AMIDYL NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-10-17 WO disclosed
WO-2002068409-A1 N-SUBSTITUTED NONARYL-HETEROCYCLIC NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2002-09-06 WO disclosed
EP-1222163-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS Aventis Pharma Deutschland GmbH (DE) 2002-07-17 EP disclosed
WO-2001025189-A1 2'-SUBSTITUTED 1,1'-BIPHENYL-2-CARBONAMIDES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT AND PHARMACEUTICAL PREPARATIONS CONTAINING SAID COMPOUNDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-12 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 (13 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-11000526-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B MGLL 4517/4885MMP1 4687/4885MMP2 3832/4885
US-20200299300-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A MGLL 4662/4885MMP1 4824/4885MMP2 4565/4885
US-20030171351-A1 2'-substituted 1,1'-biphenyl-2-carboxamides, process for their preparation, their use as medicaments, and pharmaceutical preparations comprising them MLLT3, RYR2, KCNH1 MGLL 4306/4885MMP1 4467/4885MMP2 4261/4885
US-20220024937-A1 3,3-DIFLUOROPIPERIDINE CARBAMATE HETEROCYCLIC COMPOUNDS AS NR2B NMDA RECEPTOR ANTAGONISTS GRIN3A, GRIN1, GRIN2A MGLL 4662/4885MMP1 4824/4885MMP2 4565/4885
US-11136328-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A MGLL 4662/4885MMP1 4824/4885MMP2 4565/4885
US-10584127-B2 3,3-difluoropiperidine carbamate heterocyclic compounds as NR2B NMDA receptor antagonists GRIN3A, GRIN1, GRIN2A MGLL 4662/4885MMP1 4824/4885MMP2 4565/4885
US-20210220365-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B MGLL 4517/4885MMP1 4687/4885MMP2 3832/4885
US-12527799-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2C, GRIN3A, GRIN1 MGLL 4634/4885MMP1 4661/4885MMP2 4541/4885
US-20030119811-A1 N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists GRIN1, GRIN2B, GRIN2A MGLL 4406/4885MMP1 4605/4885MMP2 4263/4885
US-10849907-B2 Imidazopyridine derivatives and the use thereof as medicament GRIN2A, GRIN3A, GRIN2C MGLL 4657/4885MMP1 4821/4885MMP2 4752/4885
US-11752155-B2 Treatment of autism spectrum disorders, obsessive-compulsive disorder and anxiety disorders GRIN2A, GRIN1, GRIN2B MGLL 4517/4885MMP1 4687/4885MMP2 3832/4885
US-20240207273-A1 TREATMENT OF AUTISM SPECTRUM DISORDERS, OBSESSIVE-COMPULSIVE DISORDER AND ANXIETY DISORDERS GRIN2A, GRIN1, GRIN2B MGLL 4517/4885MMP1 4687/4885MMP2 3832/4885
US-20020165241-A1 N-substituted nonaryl-heterocyclic NMDA/NR2B antagonists GRIN1, GRIN2B, GRIN2A MGLL 4486/4885MMP1 4570/4885MMP2 4202/4885

“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.