SCHEMBL3025100

SCHEMBL3025100

CCC(C)N1C[C@@H](C(Nc2ccc(C#N)c(Cl)c2)c2cc(F)c(F)cc2F)CC1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.46
RORC P51449 6/20 0.37
KCNH2 Q12809 2/20 0.37
AR P10275 5/20 0.36
PLA2G7 Q13093 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
SCHEMBL3029068 0.92 PGR (0.37) PGRRORCKCNH2ARPLA2G7
SCHEMBL3033988 0.85 PGR (0.52) PGRRORCKCNH2AR
SCHEMBL3021203 0.85 PGR (0.45) PGRRORCKCNH2ARPLA2G7
SCHEMBL3031759 0.82 PGR (0.41) PGRKCNH2AR
SCHEMBL3025465 0.82 PGR (0.38) PGRRORCKCNH2ARPLA2G7
SCHEMBL3023736 0.79 PGR (0.40) PGRKCNH2AR
SCHEMBL3020602 0.79 PGR (0.52) PGRRORCKCNH2AR
SCHEMBL3021063 0.78 PGR (0.46) PGRRORCKCNH2AR
SCHEMBL3021048 0.77 PGR (0.45) PGRRORCKCNH2ARPLA2G7
SCHEMBL3021238 0.76 PGR (0.52) PGRAR

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-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-08-19 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-20100210706-A1 PYRROLIDINONE ANILINES AS PROGESTERONE RECEPTOR MODULATORS PGR, PGRMC2, PGRMC1 PGR 1/4885RORC 266/4885KCNH2 2798/4885

“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.