SCHEMBL4047958

SCHEMBL4047958

O=C1OC2(CCN(c3cc(-c4ccnc(-c5ccccc5F)n4)[nH]n3)CC2)c2cnccc21

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.45
NPY5R Q15761 16/20 0.44
AVPR1A P37288 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
DRD3 P35462 1/20 0.38

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
SCHEMBL4045480 0.89 DGAT1 (0.49) DGAT1NPY5R
SCHEMBL4047098 0.89 DGAT1 (0.49) DGAT1NPY5RAVPR1A
SCHEMBL4041697 0.82 NPY5R (0.50) DGAT1NPY5R
SCHEMBL4044645 0.80 NPY5R (0.51) DGAT1NPY5RAVPR1A
SCHEMBL4044702 0.73 NPY5R (0.56) NPY5R
SCHEMBL4044707 0.73 NPY5R (0.56) NPY5R
SCHEMBL4047630 0.72 NPY5R (0.53) DGAT1NPY5R
SCHEMBL2652299 0.70 DGAT1 (0.52) DGAT1NPY5R
SCHEMBL2887082 0.68 NPY5R (0.53) NPY5RDRD3
SCHEMBL2887088 0.67 NPY5R (0.58) 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
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US claimed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP claimed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US claimed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US 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
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 DGAT1 3680/4885NPY5R 2/4885AVPR1A 274/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R DGAT1 3708/4885NPY5R 2/4885AVPR1A 280/4885

“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.