SCHEMBL1223536

SCHEMBL1223536

CC(C)(C)OC(=O)n1c(C#N)ccc1-c1ccc2c(c1)C(C)(C)C(=O)N2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 19/20 0.63
NR3C2 P08235 1/20 0.42
AR P10275 1/20 0.42
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL1223203 0.86 PGR (0.66) PGRNR3C2AR
SCHEMBL3874025 0.83 PGR (0.65) PGR
SCHEMBL4816287 0.83 PGR (0.65) PGRNR3C2AR
SCHEMBL3985058 0.83 PGR (0.67) PGRNR3C2AR
SCHEMBL4909392 0.82 PGR (0.48) PGRNR3C2AR
SCHEMBL27544026 0.80 PGR (0.64) PGRNR3C2ARPDE3BPDE3A
SCHEMBL11903478 0.80 PGR (0.53) PGR
SCHEMBL3982376 0.79 PGR (0.57) PGRNR3C2AR
SCHEMBL3989246 0.78 PGR (0.69) PGRNR3C2AR
SCHEMBL4809621 0.78 PGR (1.00) PGRNR3C2AR

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-8476262-B2 Cyanopyrroles WYETH LLC (US) 2013-07-02 US disclosed
US-20110039839-A1 Cyanopyrroles WYETH LLC (US) 2011-02-17 US disclosed
EP-1173433-B1 CYANOPYRROLES AS PROGESTERONE RECEPTOR AGONISTS WYETH CORP (US) 2005-12-28 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-20110039839-A1 Cyanopyrroles PGR, MC2R, THRB PGR 1/4885NR3C2 4/4885AR 28/4885

“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.