SCHEMBL2863663

SCHEMBL2863663

CC(C)(C)OC(=O)n1cnc2c(NC(=O)C3CNCC4C(=O)OC(c5ccccc5)(c5ccccc5)N34)cccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SYK P43405 1/20 0.32
SSTR4 P31391 2/20 0.31
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 1/20 0.31
PARP1 P09874 2/20 0.31
PARP2 Q9UGN5 2/20 0.31
AKT1 P31749 1/20 0.31
HDAC8 Q9BY41 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
TTK P33981 1/20 0.30
HDAC1 Q13547 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PIM1 P11309 1/20 0.30
MARK3 P27448 1/20 0.30
MAP4K2 Q12851 1/20 0.30
CAMK2B Q13554 1/20 0.30

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
SCHEMBL2863335 0.79 TNKS (0.46) MEN1KMT2ATNKSTNKS2NPSR1
Hydrochloric Acid SCHEMBL2867899 0.78 AKT1 (0.36) BRD4TNKSTNKS2PARP1AKT1
SCHEMBL2861976 0.76 ALDH1A1 (0.40) MEN1KMT2ANPSR1
SCHEMBL6039467 0.76 NPSR1 (0.37) NPSR1
SCHEMBL2869316 0.76 NPSR1 (0.35) TNKSTNKS2NPSR1
SCHEMBL2863081 0.76 KDM4E (0.43) MEN1KMT2ANPSR1
SCHEMBL2862573 0.76 HCRTR2 (0.41) NPSR1
SCHEMBL2868957 0.75 EPHX2 (0.41) MEN1KMT2ANPSR1
SCHEMBL2870952 0.75 SMN1; SMN2 (0.41) MEN1KMT2A
SCHEMBL2863393 0.74 CHRM2 (0.41) NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795267-B2 Bicyclic piperazine compound having TGR23 antagonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20070072865-A1 Bicyclic piperazine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-29 US disclosed
EP-1661898-A1 BICYCLIC PIPERAZINE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-31 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-20070072865-A1 Bicyclic piperazine compound and use thereof GPR3, FFAR3, LPAR3 BRD4 379/4885CREBBP 1851/4885MEN1 4666/4885

“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.