SCHEMBL3021014

SCHEMBL3021014

CC(C)N1C[C@@H](C(Nc2ccc(C#N)c(Cl)c2)c2ccccc2)CC1=O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.50
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 1/20 0.41
AR P10275 2/20 0.39
S1PR3 Q99500 1/20 0.39
SLC22A12 Q96S37 4/20 0.38
RORC P51449 1/20 0.36
KCNH2 Q12809 1/20 0.36

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
SCHEMBL3033988 0.90 PGR (0.52) PGRARS1PR3SLC22A12RORC
SCHEMBL3021238 0.88 PGR (0.52) PGRL3MBTL1KMT2AHSD17B10AR
SCHEMBL3444933 0.88 PGR (0.50) PGRARS1PR3SLC22A12KCNH2
SCHEMBL3029375 0.85 PGR (0.49) PGRARRORCKCNH2
SCHEMBL3019921 0.78 PGR (0.50) PGRL3MBTL1KMT2AHSD17B10AR
SCHEMBL3021063 0.78 PGR (0.46) PGRL3MBTL1ARSLC22A12RORC
SCHEMBL3031759 0.78 PGR (0.41) PGRARSLC22A12KCNH2
SCHEMBL3025100 0.76 PGR (0.46) PGRARRORCKCNH2
SCHEMBL3029068 0.74 PGR (0.37) PGRARRORCKCNH2
SCHEMBL3031568 0.74 PGR (0.52) PGRARSLC22A12RORCKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816395-B2 Pyrrolidinone anilines as progesterone receptor modulators GLAXOSMITHKLINE LLC (US) 2010-10-19 US disclosed
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 1/4885L3MBTL1 4824/4885KMT2A 1302/4885

“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.