SCHEMBL4044645

SCHEMBL4044645

O=C1OC2(CCN(c3cc(-c4ccnc(-c5ccccc5)c4)[nH]n3)CC2)c2cnccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 16/20 0.51
DGAT1 O75907 2/20 0.47
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AVPR1A P37288 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
SCHEMBL4047630 0.91 NPY5R (0.53) NPY5RDGAT1KDM4ENPC1ALDH1A1
SCHEMBL4045480 0.87 DGAT1 (0.49) NPY5RDGAT1
SCHEMBL4047098 0.80 DGAT1 (0.49) NPY5RDGAT1AVPR1A
SCHEMBL4047958 0.80 DGAT1 (0.45) NPY5RDGAT1AVPR1A
SCHEMBL4041697 0.78 NPY5R (0.50) NPY5RDGAT1
SCHEMBL4046111 0.75 NPY5R (0.50) NPY5RDGAT1
SCHEMBL4044964 0.73 NPY5R (0.50) NPY5R
SCHEMBL4045468 0.73 NPY5R (0.50) NPY5R
SCHEMBL4046249 0.73 NPY5R (0.55) NPY5RDGAT1AVPR1A
SCHEMBL2652299 0.73 DGAT1 (0.52) NPY5RDGAT1

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 10 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
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 2/4885DGAT1 3680/4885KDM4E 2034/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NPY5R 2/4885DGAT1 3708/4885KDM4E 2049/4885

“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.