SCHEMBL3211962

SCHEMBL3211962

COc1ccc(C=NNC(=O)C(OC)c2ccccc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
POLB P06746 3/20 0.60
HTT P42858 1/20 0.60
TRPM5 Q9NZQ8 3/20 0.57
ALDH1A1 P00352 1/20 0.57

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
SCHEMBL3211952 1.00 GAA (0.70) GAAPOLBHTTTRPM5ALDH1A1
SCHEMBL7961259 0.91 GAA (0.67) GAA
SCHEMBL7951278 0.89 GAA (0.57) GAAALDH1A1
SCHEMBL7961337 0.88 TRPM5 (0.59) GAATRPM5ALDH1A1
SCHEMBL13491783 0.88 GAA (0.67) GAAPOLB
SCHEMBL7965807 0.88 GAA (0.64) GAAPOLBALDH1A1
SCHEMBL13491780 0.88 GAA (0.56) GAA
SCHEMBL13491885 0.87 POLB (0.61) GAAPOLBHTTTRPM5ALDH1A1
SCHEMBL7967214 0.86 GAA (0.84) GAAPOLBHTTALDH1A1
SCHEMBL3211846 0.85 POLB (0.58) GAAPOLBHTTTRPM5ALDH1A1

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-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2018-05-03 US disclosed
US-9783521-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2017-10-10 US disclosed
EP-2310016-B1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORP (US) 2017-10-04 EP disclosed
US-20140038951-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2014-02-06 US disclosed
US-8377930-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2013-02-19 US disclosed
US-20100035872-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2010-02-11 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 (3 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-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GAA 64/4885POLB 770/4885HTT 608/4885
US-20140038951-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GAA 64/4885POLB 770/4885HTT 608/4885
US-20100035872-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A GAA 64/4885POLB 770/4885HTT 608/4885

“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.