SCHEMBL1502039

SCHEMBL1502039

Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 1.00
CYP2C9 P11712 2/20 1.00
PMP22 Q01453 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
CYP1A2 P05177 1/20 1.00
ALOX15 P16050 1/20 1.00
NFKB1 P19838 1/20 1.00
CARM1 Q86X55 1/20 0.51
PRMT6 Q96LA8 1/20 0.51
KCNH2 Q12809 2/20 0.50
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
NR4A2 P43354 1/20 0.47

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
SCHEMBL29397805 1.00 HTR4 (1.00) HTR4CYP2C9PMP22NPSR1CYP1A2
Maleic Acid SCHEMBL2942174 0.95 HTR4 (0.90) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL29626583 0.94 HTR4 (1.00) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7293994 0.94 HTR4 (0.89) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7300971 0.90 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
Maleic Acid SCHEMBL7295111 0.90 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
Fumaric Acid SCHEMBL7295114 0.90 HTR4 (0.81) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7300888 0.87 HTR4 (0.77) HTR4CYP2C9PMP22NPSR1CYP1A2
Hydrochloric Acid SCHEMBL7291228 0.86 HTR4 (0.76) HTR4CYP2C9PMP22NPSR1CYP1A2
SCHEMBL7294699 0.86 HTR4 (0.76) HTR4CYP2C9PMP22NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503764-B1 5-HT4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF HEART FAILURE SERODUS AS (NO) 2010-01-06 EP claimed
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP claimed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP claimed
US-20220323456-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2022-10-13 US disclosed
US-11337984-B2 Methods for treating, diagnosing and prognosing a haematological malignancy INSTITUT DE RECERCA CONTRA LA LEUCÉMIA JOSEP CARRERAS (ES) 2022-05-24 US disclosed
US-20210228593-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2021-07-29 US disclosed
EP-3160472-B1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INST DE RECERCA CONTRA LA LEUCEMIA JOSEP CARRERAS (ES) 2020-03-11 EP disclosed
US-20190343843-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2019-11-14 US disclosed
CN-106471373-B For treating, diagnosing and the method for prognosis Malignancy 约瑟卡雷拉斯白血球过多症研究所 2019-08-23 CN disclosed
US-10195207-B2 Methods for treating, diagnosing and prognosing a haematological malignancy INSTITUT DE RECERCA CONTRA LA LEUCÈMIA JOSEP CARRERAS (ES) 2019-02-05 US disclosed
US-20170143735-A1 METHODS FOR TREATING, DIAGNOSING AND PROGNOSING A HAEMATOLOGICAL MALIGNANCY INSTITUT DE RECERCA CONTRA LA LEUCEMIA JOSEP CARRERAS (ES) 2017-05-25 US disclosed
US-6294555-B1 SEROTONIN HT3 RECEPTOR ANTAGONIST FOR GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2001-09-25 US disclosed
EP-1076055-A1 1- (1-SUBSTITUTED-4-PIPERIDINYL)METHYL]-4-PIPERIDINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES OF THESE COMPOUNDS Dainippon Pharmaceutical Co., Ltd. (JP) 2001-02-14 EP disclosed
EP-0979818-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-02-16 EP disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed
US-5763459-A Medicaments for the treatment of anxiety SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-09 US disclosed
EP-0774460-A1 BENZOIC ACID COMPOUND AND USE THEREOF AS MEDICINE YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-05-21 EP disclosed
EP-0501322-B1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LTD (GB) 1996-09-04 EP disclosed
WO-1992014727-A1 3-PIPERIDINYLMETHYLCARBOXYLATE SUBSTITUTED INDOLES GLAXO GROUP LIMITED (GB) 1992-09-03 WO disclosed
EP-0501322-A1 3-Piperidinylmethylcarboxylate substituted indoles GLAXO GROUP LIMITED (GB) 1992-09-02 EP disclosed