SCHEMBL8201909

SCHEMBL8201909

Cc1cc(C#N)cc2c1OCC(=O)N2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.42
NR3C2 P08235 5/20 0.42
NR3C1 P04150 2/20 0.42
MMP12 P39900 1/20 0.42
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PARP1 P09874 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 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
SCHEMBL4261964 0.84 PGR (0.50) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL8191693 0.82 PGR (0.43) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL4259540 0.81 PGR (0.45) PGRNR3C2NR3C1RAF1BRAF
SCHEMBL4102418 0.79 PDE3B (0.56) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL4267401 0.77 PGR (0.49) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL8082246 0.76 PGR (0.46) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL9909523 0.76 NR3C2 (0.47) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL4288420 0.76 PDE3B (0.47) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL19629957 0.76 PDE3B (0.50) PGRNR3C2NR3C1MMP12PDE3B
SCHEMBL18415164 0.74 NR3C2 (0.51) PGRNR3C2NR3C1MMP12PDE3B

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 5 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-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

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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 PGR 3329/4885NR3C2 2202/4885NR3C1 2586/4885

“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.