SCHEMBL3280126

SCHEMBL3280126

O=C(O)N1CCOc2c(Br)cccc2C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.42
NOTUM Q6P988 2/20 0.38
ABHD6 Q9BV23 4/20 0.36
PARP1 P09874 1/20 0.36
CREBBP Q92793 2/20 0.35
HSP90AA1 P07900 1/20 0.35
AHR P35869 1/20 0.34
PDE4B Q07343 2/20 0.34
RAB9A P51151 1/20 0.34
TRAP1 Q12931 1/20 0.34
MTOR P42345 1/20 0.34

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
SCHEMBL17748270 0.82 PARP1 (0.45) RIPK1PARP1
SCHEMBL2986290 0.80 MAPK1 (0.50) RIPK1ABHD6
SCHEMBL20565680 0.78 RIPK1 (0.51) RIPK1
SCHEMBL20564853 0.77 RIPK1 (0.67) RIPK1PARP1CREBBP
SCHEMBL3283061 0.77 PDE4B (0.43) NOTUMCREBBPPDE4BRAB9A
SCHEMBL28466622 0.77 AHR (0.41) RIPK1NOTUMABHD6AHRRAB9A
SCHEMBL29501124 0.75 RIPK1 (0.54) RIPK1NOTUMAHR
SCHEMBL17957763 0.75 RIPK1 (0.54) RIPK1NOTUMAHR
SCHEMBL1550147 0.74 ABHD6 (0.60) NOTUMABHD6RAB9ATRAP1
SCHEMBL3277637 0.73 CREBBP (0.41) CREBBP

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 4189/4885NOTUM 1893/4885ABHD6 1939/4885

“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.