SCHEMBL3276576

SCHEMBL3276576

CC(C)(C)OC(=O)N1CCOc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
UCHL1 P09936 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
P2RY14 Q15391 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
ESR2 Q92731 1/20 0.39
ABHD6 Q9BV23 1/20 0.39
GPR142 Q7Z601 2/20 0.39
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39
MMP13 P45452 1/20 0.39
SCN9A Q15858 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
PTK2 Q05397 1/20 0.38
HDAC4 P56524 1/20 0.38
TGFBR1 P36897 1/20 0.38
CTSS P25774 1/20 0.38

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
SCHEMBL3275497 0.90 MAPK1 (0.42) MAPK1MAPTUCHL1LIPGESR2
SCHEMBL3283796 0.88 UCHL1 (0.52) MAPK1UCHL1LIPGGPR119ESR2
SCHEMBL3275335 0.88 MAPK1 (0.47) MAPK1MAPTUCHL1GPR119ESR2
SCHEMBL3276378 0.84 MAPK1 (0.47) MAPK1UCHL1LIPGESR2ABHD6
SCHEMBL3283691 0.84 MAPK1 (0.43) MAPK1UCHL1LIPGGPR119ESR2
SCHEMBL3280283 0.82 MAPK1 (0.44) DRD2MAPK1MAPTUCHL1LIPG
SCHEMBL30519105 0.82 UCHL1 (0.60) MAPK1MAPTUCHL1ESR2ABHD6
SCHEMBL3277547 0.82 MAPK1 (0.48) MAPK1UCHL1LIPGESR2NR1H2
SCHEMBL17010293 0.82 UCHL1 (0.60) MAPK1MAPTUCHL1ESR2ABHD6
SCHEMBL3282990 0.82 MAPK1 (0.43) MAPK1UCHL1LIPGGPR119ESR2

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 DRD2 296/4885MAPK1 3719/4885MAPT 4237/4885

“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.