SCHEMBL4048494

SCHEMBL4048494

O=C1O[C@]2(CC[C@H](c3cc(-c4cccc(Cl)c4)n[nH]3)CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 19/20 0.53
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL4048490 1.00 NPY5R (0.53) NPY5RDRD2DRD4DRD3
SCHEMBL4046897 0.90 NPY5R (0.56) NPY5R
SCHEMBL4046898 0.90 NPY5R (0.56) NPY5R
SCHEMBL4046915 0.80 NPY5R (0.56) NPY5RDRD2DRD4
SCHEMBL4046920 0.80 NPY5R (0.56) NPY5RDRD2DRD4
SCHEMBL4048077 0.80 NPY5R (0.56) NPY5R
SCHEMBL4048078 0.80 NPY5R (0.56) NPY5R
SCHEMBL4042774 0.69 NPY5R (0.56) NPY5R
SCHEMBL4042342 0.69 NPY5R (0.51) NPY5R
SCHEMBL4045468 0.69 NPY5R (0.50) NPY5R

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP claimed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US claimed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP claimed
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 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 (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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NPY5R 2/4885DRD2 2422/4885DRD4 2229/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NPY5R 2/4885DRD2 2376/4885DRD4 2193/4885

“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.