SCHEMBL3277430

SCHEMBL3277430

CC(C)(C)OC(=O)N1CCOc2cccc(N3CCOCC3)c2C1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MTOR P42345 4/20 0.43
USP30 Q70CQ3 2/20 0.43
RECQL P46063 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
AKR1C3 P42330 2/20 0.40
PIK3CA P42336 1/20 0.40
NAMPT P43490 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL19667310 0.83 USP2 (0.44) USP2SMN1; SMN2USP30RECQLGPR119
SCHEMBL3276399 0.82 UCHL1 (0.44) USP2SMN1; SMN2USP30RECQLGPR119
SCHEMBL17813928 0.82 USP2 (0.43) USP2SMN1; SMN2USP30RECQLGPR119
SCHEMBL17813927 0.82 NR1H2 (0.44) USP2SMN1; SMN2USP30RECQLGPR119
SCHEMBL3276778 0.82 SMN1; SMN2 (0.50) USP2SMN1; SMN2MTORUSP30RECQL
SCHEMBL3276273 0.80 UCHL1 (0.49) USP2SMN1; SMN2USP30GPR119
SCHEMBL11985662 0.77 MAPK1 (0.57) USP2SMN1; SMN2USP30GPR119NAMPT
SCHEMBL31046947 0.77 MAPK1 (0.57) USP2SMN1; SMN2USP30GPR119NAMPT
SCHEMBL17276500 0.76 SMN1; SMN2 (0.62) USP2SMN1; SMN2RECQLGPR119AKR1C3
SCHEMBL3276974 0.76 ABHD6 (0.50) USP2SMN1; SMN2MTORUSP30GPR119

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 USP2 2256/4885SMN1; SMN2 2200/4885MTOR 3857/4885

“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.