SCHEMBL4288420

SCHEMBL4288420

Cc1cc(Br)cc2c1OCC(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
MMP12 P39900 1/20 0.45
NR3C2 P08235 4/20 0.44
PGR P06401 3/20 0.44
NR3C1 P04150 2/20 0.44
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
PARP1 P09874 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CMA1 P23946 1/20 0.38
AHR P35869 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 5/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 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
SCHEMBL4102418 0.83 PDE3B (0.56) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL17875671 0.83 PDE3B (0.43) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL4290482 0.81 IL4I1 (0.44) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL9909523 0.80 NR3C2 (0.47) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL4102483 0.80 NR3C2 (0.45) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL8082246 0.80 PGR (0.46) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL29939223 0.80 NR3C2 (0.45) PDE3BPDE3AMMP12NR3C2PGR
SCHEMBL4293613 0.80 PGR (0.42) PDE3BPDE3AMMP12PGRADRB2
SCHEMBL15709709 0.80 ADRB2 (0.43) PDE3BPDE3AMMP12ADRB2ADRB1
SCHEMBL5345549 0.78 NR3C2 (0.43) PDE3BPDE3AMMP12NR3C2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO 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 (2 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PDE3B 550/4885PDE3A 605/4885MMP12 8/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PDE3B 486/4885PDE3A 464/4885MMP12 2560/4885

“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.