SCHEMBL3277720

SCHEMBL3277720

CC(C)(C)OC(=O)N1CCOc2cc(-c3ccccc3)ccc2C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.58
▸ PIK3CA P42336 2/20 0.49
▸ ESR2 Q92731 1/20 0.48
▸ MAPK1 P28482 1/20 0.47
▸ NR1H2 P55055 1/20 0.47
▸ RIPK1 Q13546 3/20 0.46
▸ GPR142 Q7Z601 3/20 0.45
▸ GPR119 Q8TDV5 1/20 0.44
▸ ABHD6 Q9BV23 1/20 0.43
▸ CRBN Q96SW2 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ PTPN2 P17706 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 1/20 0.42

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
SCHEMBL3277263 0.91 PIK3CA (0.60) USP30PIK3CAMAPK1RIPK1GPR142
SCHEMBL3276797 0.90 ESR2 (0.50) USP30PIK3CAESR2MAPK1NR1H2
SCHEMBL31046947 0.84 MAPK1 (0.57) USP30ESR2MAPK1NR1H2RIPK1
SCHEMBL11985662 0.84 MAPK1 (0.57) USP30ESR2MAPK1NR1H2RIPK1
SCHEMBL31538706 0.84 ESR2 (0.50) USP30PIK3CAESR2MAPK1NR1H2
SCHEMBL2986459 0.83 ESR2 (0.65) USP30ESR2MAPK1NR1H2RIPK1
SCHEMBL21526480 0.82 NR1H2 (0.66) USP30PIK3CAESR2MAPK1NR1H2
SCHEMBL3276386 0.82 ESR2 (0.51) USP30ESR2MAPK1NR1H2RIPK1
SCHEMBL2724788 0.82 PIK3CA (0.55) USP30PIK3CARIPK1GPR142GPR119
SCHEMBL23124526 0.81 ESR2 (0.69) USP30ESR2MAPK1NR1H2GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 — — EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 — — US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 — — US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 — — 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 (1 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B USP30 4155/4885PIK3CA 2630/4885ESR2 1102/4885

“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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