SCHEMBL15710462

SCHEMBL15710462

O=C1OC2(CC[CH]CC2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.55
▸ NPY5R Q15761 9/20 0.47
▸ AVPR1A P37288 8/20 0.47
▸ CFTR P13569 1/20 0.46
▸ GOPC Q9HD26 1/20 0.46

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
SCHEMBL8777675 0.88 SIGMAR1 (0.61) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL10252829 0.85 SIGMAR1 (0.58) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL6427482 0.83 SIGMAR1 (0.56) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL18854250 0.81 SIGMAR1 (0.55) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL612153 0.81 SIGMAR1 (0.55) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL11839999 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL171980 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL15076889 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL29674557 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC
SCHEMBL3401467 0.80 SIGMAR1 (0.54) SIGMAR1NPY5RAVPR1ACFTRGOPC

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 — — EP claimed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 — — EP claimed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 — — US claimed
EP-3470396-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2019-04-17 — — EP disclosed
EP-2935214-B1 1,4-PYRIDONE COMPOUNDS EPIZYME INC (US) 2019-02-20 — — EP disclosed
US-10150764-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-12-11 — — US disclosed
EP-3022184-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2017-09-27 — — EP disclosed
EP-3165520-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme Inc (US) 2017-05-10 — — EP disclosed
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-11-17 — — US disclosed
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-08-25 — — US disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 — — US disclosed
US-9243001-B2 Substituted benzene compounds Epizyme, Inc. (US) 2016-01-26 — — US disclosed
EP-2970281-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2016-01-20 — — EP disclosed
US-20150344427-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-12-03 — — US disclosed
EP-2935214-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2015-10-28 — — EP disclosed
WO-2015010049-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2015-01-22 — — WO disclosed
WO-2014172044-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-10-23 — — WO disclosed
US-20140315945-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-10-23 — — US disclosed
WO-2014100646-A1 1,4-PYRIDONE COMPOUNDS Epizyme, Inc. (US) 2014-06-26 — — WO disclosed
US-20140142083-A1 Substituted Benzene Compounds Epizyme, Inc. (US) 2014-05-22 — — 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 (7 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-20150344427-A1 1,4-PYRIDONE COMPOUNDS PDXK, PNPO, PLPBP SIGMAR1 1992/4885NPY5R 1140/4885AVPR1A 3253/4885
US-20140315945-A1 Substituted Benzene Compounds VHL, AHR, TP53 SIGMAR1 2881/4885NPY5R 1329/4885AVPR1A 4380/4885
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL SIGMAR1 2168/4885NPY5R 1639/4885AVPR1A 4142/4885
US-20140142083-A1 Substituted Benzene Compounds CYP1B1, TP53, VHL SIGMAR1 2168/4885NPY5R 1639/4885AVPR1A 4142/4885
US-10150764-B2 Substituted benzene compounds CYP1B1, TP53, VHL SIGMAR1 2168/4885NPY5R 1639/4885AVPR1A 4142/4885
US-20160244464-A1 SUBSTITUTED BENZENE COMPOUNDS VHL, AHR, TP53 SIGMAR1 2881/4885NPY5R 1329/4885AVPR1A 4380/4885
US-20160332969-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL SIGMAR1 2168/4885NPY5R 1639/4885AVPR1A 4142/4885

“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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