SCHEMBL4290919

SCHEMBL4290919

COC(=O)c1cc(Br)cc2c1OCC(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
NR4A2 P43354 1/20 0.38
ADRB2 P07550 7/20 0.38
ADRB1 P08588 5/20 0.38
SMYD3 Q9H7B4 1/20 0.38
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PARP1 P09874 1/20 0.36
LMNA P02545 1/20 0.36
MMP12 P39900 1/20 0.35
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35

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
SCHEMBL7281163 0.84 PDE3B (0.43) PDE3BPDE3ANR4A2ADRB2ADRB1
SCHEMBL30183935 0.81 PDE3B (0.36) PDE3BPDE3AADRB2ADRB1SMYD3
SCHEMBL23591044 0.81 PDE3B (0.36) PDE3BPDE3AADRB2ADRB1SMYD3
SCHEMBL28998391 0.78 ALDH1A1 (0.44) PDE3BPDE3ANR3C2ALDH1A1POLB
SCHEMBL3327669 0.78 NR3C2 (0.37) PDE3BPDE3AADRB2ADRB1SMYD3
SCHEMBL29753562 0.78 SMYD3 (0.56) SMYD3LMNATSHR
SCHEMBL1340605 0.78 SMYD3 (0.56) SMYD3LMNATSHR
SCHEMBL4293613 0.77 PGR (0.42) PDE3BPDE3AADRB2ADRB1ALDH1A1
SCHEMBL23590875 0.76 NR3C2 (0.38) PDE3BPDE3AADRB2ADRB1SMYD3
SCHEMBL2309393 0.76 CDK1 (0.41) NR4A2ALDH1A1MAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PDE3B 486/4885PDE3A 464/4885NR4A2 73/4885

“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.