SCHEMBL3277263

SCHEMBL3277263

CC(C)(C)OC(=O)N1CCOc2ccc(-c3ccccc3)cc2C1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.60
USP30 Q70CQ3 1/20 0.56
GPR142 Q7Z601 8/20 0.54
GPR119 Q8TDV5 1/20 0.48
MAPK1 P28482 1/20 0.47
CREBBP Q92793 2/20 0.46
RIPK1 Q13546 2/20 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
SCHEMBL2724788 0.91 PIK3CA (0.55) PIK3CAUSP30GPR142GPR119CREBBP
SCHEMBL3277720 0.91 USP30 (0.58) PIK3CAUSP30GPR142GPR119MAPK1
SCHEMBL2723942 0.88 PIK3CA (0.52) PIK3CAUSP30GPR142CREBBPRIPK1
SCHEMBL855899 0.87 PIK3CA (0.51) PIK3CAUSP30GPR142CREBBPRIPK1
SCHEMBL3276575 0.87 CREBBP (0.54) PIK3CAGPR142MAPK1CREBBPRIPK1
SCHEMBL856145 0.87 NR1H2 (0.48) PIK3CAUSP30GPR142GPR119CREBBP
SCHEMBL3808847 0.86 GPR142 (0.51) PIK3CAGPR142CREBBPRIPK1
SCHEMBL3749703 0.84 PIK3CA (0.48) PIK3CAUSP30GPR142GPR119MAPK1
SCHEMBL7858946 0.84 PIK3CA (0.44) PIK3CAUSP30GPR142GPR119CREBBP
SCHEMBL11985662 0.84 MAPK1 (0.57) USP30GPR119MAPK1RIPK1

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 PIK3CA 2630/4885USP30 4155/4885GPR142 42/4885

“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.