SCHEMBL3279754

SCHEMBL3279754

C[C@H]1COCCN1c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.43
ESR2 Q92731 1/20 0.43
NR1H2 P55055 1/20 0.42
PIK3R1 P27986 11/20 0.42
PIK3CA P42336 11/20 0.42
MTOR P42345 1/20 0.41
USP2 O75604 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 1/20 0.39

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
SCHEMBL3276230 1.00 RIPK1 (0.43) RIPK1ESR2NR1H2PIK3R1PIK3CA
SCHEMBL3276974 0.83 ABHD6 (0.50) RIPK1ESR2NR1H2PIK3CAMTOR
SCHEMBL3281590 0.80 ESR2 (0.48) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3277235 0.80 ESR2 (0.44) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3277231 0.80 ESR2 (0.44) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL3283648 0.79 ESR2 (0.47) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL2986459 0.78 ESR2 (0.65) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL31576025 0.77 ESR2 (0.49) RIPK1ESR2NR1H2PIK3CAMTOR
SCHEMBL3276386 0.77 ESR2 (0.51) RIPK1ESR2NR1H2USP2SMN1; SMN2
SCHEMBL21526480 0.77 NR1H2 (0.66) RIPK1ESR2NR1H2PIK3CAMTOR

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.