SCHEMBL3276797

SCHEMBL3276797

CC(C)(C)OC(=O)N1CCOc2cc(-c3ccc(Cl)cc3)ccc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.50
▸ USP30 Q70CQ3 1/20 0.48
▸ RIPK1 Q13546 4/20 0.47
▸ NR1H2 P55055 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ STS P08842 2/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ PTPN6 P29350 1/20 0.41
▸ SCD5 Q86SK9 1/20 0.41
▸ GPR142 Q7Z601 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL3277720 0.90 USP30 (0.58) ESR2USP30RIPK1NR1H2PIK3CA
SCHEMBL2986459 0.82 ESR2 (0.65) ESR2USP30RIPK1NR1H2MAPK1
SCHEMBL7804799 0.81 ESR2 (0.71) ESR2NR1H2MEN1KMT2ASTS
SCHEMBL21526480 0.81 NR1H2 (0.66) ESR2USP30RIPK1NR1H2PIK3CA
SCHEMBL3276386 0.81 ESR2 (0.51) ESR2USP30RIPK1NR1H2MAPK1
SCHEMBL3277263 0.81 PIK3CA (0.60) USP30RIPK1PIK3CAMAPK1GPR142
SCHEMBL31538706 0.81 ESR2 (0.50) ESR2USP30RIPK1NR1H2MEN1
SCHEMBL2723942 0.81 PIK3CA (0.52) USP30RIPK1PIK3CAGPR142
SCHEMBL31576025 0.80 ESR2 (0.49) ESR2USP30RIPK1NR1H2PIK3CA
SCHEMBL2724788 0.79 PIK3CA (0.55) USP30RIPK1PIK3CAGPR142

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 ESR2 1102/4885USP30 4155/4885RIPK1 4189/4885

“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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