SCHEMBL12733172

SCHEMBL12733172

NC(CO)Cc1ccc(N2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.47
▸ ACACB O00763 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ GAA P10253 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HTT P42858 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL14025104 0.85 ACACB (0.43) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL27777300 0.81 ALDH1A1 (0.51) ACACBALDH1A1KDM4EALOX15HSD17B10
SCHEMBL6753271 0.80 SLC7A5 (0.54) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL5024981 0.80 SLC7A5 (0.54) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL28706525 0.80 SLC7A5 (0.54) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL12733170 0.78 ACACB (0.49) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL1716021 0.78 CHKA (0.56) GSK3BALDH1A1KDM4EALOX15HSD17B10
SCHEMBL102286 0.77 ALDH1A1 (0.58) ACACBALDH1A1KDM4EALOX15HSD17B10
SCHEMBL10895297 0.77 ALDH1A1 (0.45) GSK3BACACBALDH1A1KDM4EALOX15
SCHEMBL11828246 0.75 CYP2D6 (0.47) GSK3BACACBALDH1A1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 — — US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 — — US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — WO 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GSK3B 1794/4885ACACB 475/4885ALDH1A1 2195/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS GSK3B 1794/4885ACACB 475/4885ALDH1A1 2195/4885

“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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