SCHEMBL3277128

SCHEMBL3277128

CCN(CC)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.47
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.46
MAPK1 P28482 1/20 0.41
TGFBR1 P36897 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.38
USP30 Q70CQ3 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
KCNQ2 O43526 1/20 0.36

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
SCHEMBL3276277 0.90 ESR2 (0.46) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL3276234 0.88 RIPK1 (0.46) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL3283499 0.84 RIPK1 (0.46) RIPK1ESR2NR1H2MAPK1TGFBR1
SCHEMBL2986459 0.82 ESR2 (0.65) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL3276386 0.81 ESR2 (0.51) RIPK1ESR2NR1H2MAPK1USP2
SCHEMBL21526480 0.81 NR1H2 (0.66) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL4409669 0.80 TGFBR1 (0.38) RIPK1ESR2NR1H2TGFBR1GPR119
SCHEMBL15502863 0.80 ESR2 (0.48) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL31538706 0.80 ESR2 (0.50) RIPK1ESR2NR1H2MAPK1GPR119
SCHEMBL31576025 0.79 ESR2 (0.49) RIPK1ESR2NR1H2MAPK1GPR119

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 RIPK1 4189/4885ESR2 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.