SCHEMBL2579561

SCHEMBL2579561

COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 1.00
CYP3A4 P08684 2/20 1.00
GLA P06280 1/20 1.00
MEN1 O00255 1/20 0.87
ALDH1A1 P00352 1/20 0.87
CYP2D6 P10635 1/20 0.87
HTR3A P46098 1/20 0.87
KMT2A Q03164 1/20 0.87
ADORA2B P29275 1/20 0.72

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
SCHEMBL29386039 1.00 HTR4 (1.00) HTR4CYP3A4GLAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL22532550 0.99 HTR4 (0.98) HTR4CYP3A4GLAMEN1ALDH1A1
SCHEMBL548053 0.93 HTR4 (1.00) HTR4CYP3A4GLAMEN1ALDH1A1
SCHEMBL29767008 0.93 HTR4 (1.00) HTR4CYP3A4GLAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6836668 0.92 HTR4 (1.00) HTR4CYP3A4GLAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL27977233 0.91 HTR4 (0.96) HTR4CYP3A4GLAMEN1ALDH1A1
SCHEMBL9117893 0.88 HTR4 (0.78) HTR4CYP3A4GLA
SCHEMBL9118349 0.88 HTR4 (0.78) HTR4CYP3A4GLA
SCHEMBL9118322 0.86 HTR4 (0.76) HTR4CYP3A4GLAMEN1ALDH1A1
SCHEMBL9116887 0.86 HTR4 (0.76) HTR4CYP3A4GLAMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185263-A2 RECEPTOR AGONISTS AND ANTAGONISTS Respiratorius AB (SE) 2002-03-13 EP claimed
WO-2000076500-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION RESPIRATORIUS AB (SE) 2000-12-21 WO claimed
WO-1995025100-A1 USE OF 4-AMINO-5-CHLORO-2-METHOXYBENZOIC ESTERS AS 5-HT4 AGONISTS SANOFI (FR) 1995-09-21 WO claimed
EP-2903987-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2017-09-20 EP disclosed
EP-2563404-B1 PHOSPHOLIPID DRUG ANALOGS UROGEN PHARMA LTD (IL) 2016-09-21 EP disclosed
US-9168250-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2015-10-27 US disclosed
EP-2903987-A1 PHOSPHOLIPID DRUG ANALOGS Telormedix SA (CH) 2015-08-12 EP disclosed
US-8859537-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2014-10-14 US disclosed
WO-2014053222-A1 PHOSPHOLIPID DRUG ANALOGS TELORMEDIX SA (CH) 2014-04-10 WO disclosed
US-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY UNIVERSITÉ DE NÎMES (FR) 2013-10-17 US disclosed
US-8436021-B2 Pharmaceutical composition for treating and/or preventing a pathology associated with an obsessional behavior or with obesity CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE-CNRS (FR) 2013-05-07 US disclosed
US-6506580-B1 Gastrointestinal, nervous system and cardiovascular disorders; Alzheimer*s and Parkinson*s disease; antiarrhythmia agents, cognition activators INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2003-01-14 US disclosed
US-20020173505-A1 Antiserotonine agents; respiratory system disorders; antidepressants; eating disorders SKOGVALL STAFFAN (SE) 2002-11-21 US disclosed
WO-2001095902-A9 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS 2002-04-25 WO disclosed
EP-1185263-A2 RECEPTOR AGONISTS AND ANTAGONISTS Respiratorius AB (SE) 2002-03-13 EP disclosed
EP-1173168-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION Respiratorius AB (SE) 2002-01-23 EP disclosed
WO-2001095902-A1 A COMPOSITION COMPRISING A COMBINATION OF RECEPTOR AGONISTS AND ANTAGONISTS RESPIRATORIUS AB (SE) 2001-12-20 WO disclosed
WO-2000076500-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION RESPIRATORIUS AB (SE) 2000-12-21 WO disclosed
WO-2000064441-A2 COMPOUND FOR USE AS A MEDICAMENT FOR TREATMENT OF DISORDERS INVOLVING BRONCHOCONTRACTION RESPIRATORIUS AB (SE) 2000-11-02 WO disclosed
WO-1995025100-A1 USE OF 4-AMINO-5-CHLORO-2-METHOXYBENZOIC ESTERS AS 5-HT4 AGONISTS SANOFI (FR) 1995-09-21 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 (2 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-20020173505-A1 Antiserotonine agents; respiratory system disorders; antidepressants; eating disorders HTR4, HTR2C, HTR5A HTR4 1/4885CYP3A4 762/4885GLA 3525/4885
US-20130274293-A1 PHARMACEUTICAL COMPOSITION FOR TREATING AND/OR PREVENTING A PATHOLOGY ASSOCIATED WITH AN OBSESSIONAL BEHAVIOR OR WITH OBESITY OPRL1, HTR4, OPRM1 HTR4 2/4885CYP3A4 3007/4885GLA 2970/4885

“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.