SCHEMBL3282990

SCHEMBL3282990

Cc1cc(-c2cccc3c2OCCN(C(=O)OC(C)(C)C)C3)co1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
ESR2 Q92731 1/20 0.42
NR1H2 P55055 1/20 0.41
UCHL1 P09936 1/20 0.40
CREBBP Q92793 4/20 0.39
BRD4 O60885 1/20 0.39
USP30 Q70CQ3 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 4/20 0.37
SCN9A Q15858 1/20 0.37
GPR119 Q8TDV5 1/20 0.36
PIK3CD O00329 1/20 0.35
PDK2 Q15119 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
SCHEMBL3276885 0.87 MAPK1 (0.41) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3283796 0.86 UCHL1 (0.52) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3277637 0.85 CREBBP (0.41) CREBBPUSP30
SCHEMBL3280283 0.84 MAPK1 (0.44) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3283691 0.84 MAPK1 (0.43) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3276526 0.83 MAPK1 (0.45) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3275335 0.83 MAPK1 (0.47) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3279644 0.83 MAPK1 (0.49) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3277555 0.83 MAPK1 (0.43) MAPK1ESR2NR1H2UCHL1CREBBP
SCHEMBL3275497 0.82 MAPK1 (0.42) MAPK1ESR2NR1H2UCHL1CREBBP

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 MAPK1 3719/4885ESR2 1102/4885NR1H2 1395/4885

“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.