SCHEMBL2090629

SCHEMBL2090629

[CH2]CCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.76
CYP2D6 P10635 1/20 0.69
SIGMAR1 Q99720 4/20 0.67
HTR1A P08908 7/20 0.63
DRD2 P14416 4/20 0.63
DRD3 P35462 2/20 0.63
HTR2A P28223 2/20 0.63
HRH1 P35367 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
CHRM4 P08173 1/20 0.56
CHRM3 P20309 1/20 0.56
HTR7 P34969 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
SCHEMBL2091821 0.95 KCNH2 (0.79) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL2087812 0.93 KCNH2 (0.83) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL2093924 0.89 KCNH2 (0.69) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL5988317 0.88 KCNH2 (0.88) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL4528457 0.86 KCNH2 (1.00) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL9041083 0.84 KCNH2 (0.80) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL2095204 0.82 DRD2 (0.58) KCNH2SIGMAR1HTR1ADRD2DRD3
SCHEMBL16666733 0.82 KDM4E (0.67) SIGMAR1HTR1ADRD2DRD3HTR2A
SCHEMBL6938937 0.81 KCNH2 (0.76) KCNH2CYP2D6SIGMAR1HTR1ADRD2
SCHEMBL6637417 0.81 KCNH2 (0.76) KCNH2CYP2D6SIGMAR1HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4599062-B2 2010-12-15 JP claimed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP claimed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP claimed
US-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis ASTELLAS DEUTSCHLAND GMBH (DE) 2006-03-09 US claimed
JP-2005528361-A 2005-09-22 JP claimed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP claimed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO claimed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1487444-B9 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2010-07-21 EP disclosed
EP-1487444-B1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS ASTELLAS DEUTSCHLAND GMBH (DE) 2009-12-30 EP disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
EP-1487444-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS Fujisawa Deutschland GmbH (DE) 2004-12-22 EP disclosed
WO-2003080054-A1 USE OF PYRIDYL AMIDES AS INHIBITORS OF ANGIOGENESIS FUJISAWA DEUTSCHLAND GMBH (DE) 2003-10-02 WO disclosed
EP-1348434-A1 Use of pyridyl amides as inhibitors of angiogenesis Fujisawa Deutschland GmbH (DE) 2003-10-01 EP disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0316723-B1 3-[4(1-Substituted-4-piperazinyl)butyl]-4-thiazolidinones a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1992-09-30 EP disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 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-20060052419-A1 Use of pyridly amides as inhibitors of angiogenesis FLT1, VEGFA, FLT4 KCNH2 4589/4885CYP2D6 1381/4885SIGMAR1 3828/4885

“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.