SCHEMBL9903677

SCHEMBL9903677

CC(C)(C)OC(=O)N1CCOc2c(Br)csc2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADORA1 P30542 2/20 0.40
MKNK1 Q9BUB5 3/20 0.38
ESR2 Q92731 1/20 0.38
RECQL P46063 1/20 0.38
RIPK1 Q13546 1/20 0.38
NR1H2 P55055 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
PIK3CD O00329 1/20 0.36
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9902475 0.84 USP2 (0.42) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL9902986 0.83 USP2 (0.41) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL9903878 0.83 USP2 (0.41) USP2SMN1; SMN2ADORA1ESR2RECQL
Hydrochloric Acid SCHEMBL11893474 0.82 USP2 (0.40) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL9903147 0.81 USP2 (0.39) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL9903300 0.81 USP2 (0.39) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL25363832 0.81 ADORA1 (0.54) ADORA1MKNK1ESR2NR1H2MAPT
SCHEMBL9903773 0.80 USP2 (0.38) USP2SMN1; SMN2ADORA1ESR2RECQL
SCHEMBL9902373 0.79 GPR119 (0.43) USP2SMN1; SMN2ADORA1ESR2RIPK1
SCHEMBL9902442 0.78 BRD4 (0.37) USP2SMN1; SMN2ADORA1NR1H2EED

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
US-8916549-B2 Thienooxazepine derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 US disclosed
EP-2463290-B1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-20120196848-A1 THIENOOXAZEPINE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-02 US disclosed
EP-2463290-A1 THIENOOXAZEPINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2012-06-13 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-20120196848-A1 THIENOOXAZEPINE DERIVATIVE HTR2C, HTR2B, HTR2A USP2 3930/4885SMN1; SMN2 3302/4885ADORA1 208/4885

“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.