SCHEMBL10134070

SCHEMBL10134070

CCOc1ccc(NC=O)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ F2 P00734 1/20 0.43
▸ F10 P00742 1/20 0.43
▸ PRSS1 P07477 1/20 0.43
▸ F7 P08709 1/20 0.43
▸ TDP1 Q9NUW8 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RORC P51449 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TACR2 P21452 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
SCHEMBL11758808 0.85 TDP1 (0.61) ALDH1A1F2F10PRSS1F7
SCHEMBL14601229 0.81 CYP3A4 (0.53) TDP1RORCLMNAGAATSHR
SCHEMBL11018267 0.81 KMT2A (0.55) ALDH1A1TDP1MAPTLMNAGAA
SCHEMBL12215337 0.77 PDE4A (0.47) ALDH1A1F2F10PRSS1F7
SCHEMBL20615327 0.77 FDPS (0.44) ALDH1A1MAPTLMNAGAATSHR
SCHEMBL10931733 0.76 F2 (0.47) ALDH1A1F2F10PRSS1F7
SCHEMBL1486263 0.76 GAA (0.54) ALDH1A1MAPTLMNAGAAL3MBTL1
SCHEMBL29463708 0.76 F2 (0.47) ALDH1A1F2F10PRSS1F7
SCHEMBL10861060 0.76 DHODH (0.65) TDP1MAPTGAAL3MBTL1NPSR1
SCHEMBL28150355 0.76 F2 (0.47) ALDH1A1F2F10PRSS1F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
EP-1249233-B9 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2009-08-05 — — EP disclosed
EP-1249233-B1 NPYY5 ANTAGONISTS SHIONOGI & CO (JP) 2008-08-20 — — EP disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885F2 4713/4885F10 2892/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4517/4885F2 4612/4885F10 2545/4885

“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.

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