SCHEMBL3277637

SCHEMBL3277637

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 14/20 0.41
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CYP2C9 P11712 1/20 0.34
S1PR1 P21453 1/20 0.34
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL3282990 0.85 MAPK1 (0.43) CREBBPUSP30
SCHEMBL3283061 0.76 PDE4B (0.43) CREBBP
SCHEMBL17748270 0.73 PARP1 (0.45) CYP2C9
SCHEMBL3280126 0.73 RIPK1 (0.42) CREBBP
SCHEMBL3276885 0.72 MAPK1 (0.41) CREBBPGSK3AGSK3BUSP30
SCHEMBL3283796 0.71 UCHL1 (0.52) CREBBPUSP30
Hydrochloric Acid SCHEMBL3275581 0.69 S1PR1 (0.42) S1PR1
SCHEMBL19644437 0.68 CREBBP (0.60) CREBBP
SCHEMBL3280283 0.68 MAPK1 (0.44) CREBBP
SCHEMBL3283691 0.68 MAPK1 (0.43) CREBBPUSP30

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 CREBBP 2052/4885GSK3A 2822/4885GSK3B 2521/4885

“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.