SCHEMBL1055700

SCHEMBL1055700

CCCCCNC(=O)CCCC(=O)O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.73
CASP2 P42575 1/20 0.68
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
KMT2A Q03164 1/20 0.64
SLC6A5 Q9Y345 1/20 0.64
NAAA Q02083 1/20 0.63
KDM4E B2RXH2 1/20 0.62
PLA2G2A P14555 1/20 0.61
FAAH O00519 5/20 0.59
AKR1B1 P15121 1/20 0.58
CNR1 P21554 2/20 0.57
CNR2 P34972 2/20 0.57
PLA2G4A P47712 1/20 0.56
DNM1 Q05193 1/20 0.56
GPR84 Q9NQS5 2/20 0.56
PPARG P37231 2/20 0.56
PPARD Q03181 2/20 0.56
PPARA Q07869 2/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL2639478 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL34460550 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL1301429 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL6277687 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL18972772 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL31272573 0.98 EPHX2 (0.76) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL9830121 0.96 EPHX2 (0.78) EPHX2CASP2MEN1MAPTKMT2A
SCHEMBL23052005 0.94 EPHX2 (0.81) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL8044633 0.94 EPHX2 (0.81) EPHX2CASP2MEN1KMT2ANAAA
SCHEMBL16013677 0.94 EPHX2 (0.81) EPHX2CASP2MEN1KMT2ANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046319-A2 CHOLECYSTOKININ-1 (CCK1) RECEPTOR ANTAGONISTS IN THE TREATMENT OF GASTROINTESTINAL AND RELATED DISORDERS Rottapharm S.p.A. (IT) 2009-04-15 EP claimed
WO-2007144345-A2 CHOLECYSTOKININ-1 (CCK1) RECEPTOR ANTAGONISTS IN THE TREATMENT OF GASTROINTESTINAL AND RELATED DISORDERS ROTTAPHARM S.P.A. (IT) 2007-12-21 WO claimed
US-20070293574-A1 CHOLECYSTOKININ-1(CCK1) RECEPTOR ANTAGONISTS IN THE TREATMENT OF GASTROINTESTINAL AND RELATED DISORDERS ROTTAPHARM S.P.A. (IT) 2007-12-20 US claimed
US-5602179-A ANTISPASMODIC AGENTS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1997-02-11 US claimed
EP-0550899-B1 Process for preparing derivatives of (R) 5-pentylamino-5-oxopentanoic acid with anticholecystokinin activity ROTTA RESEARCH LAB (IT) 1995-12-06 EP claimed
US-5391574-A Antispasmodic agents ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1995-02-21 US claimed
EP-0344184-B1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY ROTTA RESEARCH LAB (IT) 1993-11-24 EP claimed
EP-0550899-A1 Process for preparing derivatives of (R) 5-pentylamino-5-oxopentanoic acid with anticholecystokinin activity ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1993-07-14 EP claimed
US-5130474-A For treatment of gastrointestinal disorders such as colitis, pancreatitis, antispastic agents and biliary diskinesia ROTTA RESEARCH LABORATORIUM SPA (IT) 1992-07-14 US claimed
EP-0272228-B1 NEW DERIVATIVES OF 5-PENTYLAMINO-5-OXOPENTANOIC AND 4-PENTYLAMINO-4-OXO-BUTANOIC ACIDS WITH ANTAGONISTIC ACTIVITY TOWARDS CHOLECYSTOKININ AND A METHOD FOR THEIR PREPARATION ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1992-02-05 EP claimed
EP-0344184-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY. ROTTA RESEARCH LAB (IT) 1989-12-06 EP claimed
WO-1988005774-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-08-11 WO claimed
EP-0272228-A2 New Derivatives of 5-pentylamino-5-oxopentanoic and 4-pentylamino-4-oxo-butanoic acids with antagonistic activity towards cholecystokinin and a method for their preparation ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-06-22 EP claimed
WO-2023150540-A1 HYDROXAMIC ACID MACROCYCLIC AGENTS WITH PENDANT CHELATING MOIETIES AND COMPLEXES THEREOF LUMIPHORE, INC. (US) 2023-08-10 WO disclosed
WO-2022087317-A1 THIOHYDROXYPYRIDINE CHELATES LUMIPHORE, INC. (US) 2022-04-28 WO disclosed
EP-3129350-B1 MACROCYCLES LUMIPHORE INC (US) 2021-10-27 EP disclosed
US-4826878-A New derivatives of 5-pentylamino-5-oxopentanoic and 4-pentylamino-4-oxobutanoic acids with antagonistic activity towards cholecystokinin ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1989-05-02 US disclosed
WO-1988005774-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-08-11 WO disclosed
WO-1988005774-A1 DERIVATIVES OF (R) 5-PENTYLAMINO-5-OXOPENTANOIC ACID WITH ANTICHOLECYSTOKININ ACTIVITY ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-08-11 WO disclosed
EP-0272228-A2 New Derivatives of 5-pentylamino-5-oxopentanoic and 4-pentylamino-4-oxo-butanoic acids with antagonistic activity towards cholecystokinin and a method for their preparation ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1988-06-22 EP 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-20070293574-A1 CHOLECYSTOKININ-1(CCK1) RECEPTOR ANTAGONISTS IN THE TREATMENT OF GASTROINTESTINAL AND RELATED DISORDERS CCKAR, CCKBR, GRPR EPHX2 2699/4885CASP2 2645/4885MEN1 1368/4885

“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.