SCHEMBL1625528

SCHEMBL1625528

CN1CCN(CCCOc2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccc(F)cc4)[nH]3)c(Cl)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.61
DRD3 P35462 3/20 0.50
CXCR1 P25024 3/20 0.49
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX5 P09917 2/20 0.48
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46
PRKAG3 Q9UGI9 1/20 0.46
PRKAG2 Q9UGJ0 1/20 0.46
PRKAB1 Q9Y478 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
GCGR P47871 2/20 0.44
DRD2 P14416 1/20 0.44
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43

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
SCHEMBL601558 0.92 HRH4 (0.67) HRH4DRD3CXCR1PRKAB2PRKAG1
SCHEMBL604326 0.92 HRH4 (0.62) HRH4DRD3ALDH1A1HPGDPRKAB2
SCHEMBL603538 0.91 HRH4 (0.61) HRH4DRD3CXCR1PRKAB2PRKAG1
SCHEMBL603981 0.91 HRH4 (0.66) HRH4DRD3CXCR1PRKAB2PRKAG1
SCHEMBL604995 0.88 HRH4 (0.63) HRH4DRD3CXCR1PRKAB2PRKAG1
SCHEMBL604960 0.87 HRH4 (0.47) HRH4ALOX5GCGRMAPK13MAPK12
SCHEMBL604002 0.84 HRH4 (0.60) HRH4DRD3HRH3MAPK13MAPK12
SCHEMBL1626088 0.81 HRH4 (0.69) HRH4DRD3ALDH1A1PRKAB2PRKAG1
SCHEMBL601542 0.81 HRH4 (0.62) HRH4DRD3ALDH1A1HRH3DRD2
SCHEMBL601537 0.80 HRH4 (0.60) HRH4DRD3CXCR1PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737297-B1 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2012-12-19 EP claimed
US-7956057-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-06-07 US claimed
EP-1737297-A4 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2009-07-15 EP claimed
US-20070173513-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-07-26 US claimed
EP-1737297-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-03 EP claimed
US-20050261309-A1 Imidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 US claimed
WO-2005092066-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 WO claimed
EP-1737297-B1 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2012-12-19 EP disclosed
EP-1737297-B1 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2012-12-19 EP disclosed
US-8039498-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-10-18 US disclosed
US-8039498-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-10-18 US disclosed
US-8039498-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-10-18 US disclosed
US-8017639-B2 Imidazole compounds JANSSEN PHARMACEUTICA NV (BE) 2011-09-13 US disclosed
US-20070173512-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-07-26 US disclosed
US-20070149541-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-06-28 US disclosed
US-20070149541-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-06-28 US disclosed
US-20070149541-A1 Imidazole compounds JANSSEN PHARMACEUTICA, N.V. 2007-06-28 US disclosed
EP-1737297-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2007-01-03 EP disclosed
US-20050261309-A1 Imidazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2005-11-24 US disclosed
WO-2005092066-A2 IMIDAZOLE COMPOUNDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-10-06 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 (4 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-20070173512-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885DRD3 1228/4885CXCR1 95/4885
US-20070149541-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885DRD3 1228/4885CXCR1 95/4885
US-20070173513-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885DRD3 1228/4885CXCR1 95/4885
US-20050261309-A1 Imidazole compounds HRH4, HRH3, HRH2 HRH4 1/4885DRD3 1228/4885CXCR1 95/4885

“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.