SCHEMBL3021048

SCHEMBL3021048

CCN1C[C@@H](C(Nc2ccc(C#N)c(Cl)c2)c2ccccc2F)CC1=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.45
KCNH2 Q12809 2/20 0.45
PLA2G7 Q13093 1/20 0.39
AR P10275 5/20 0.39
RORC P51449 4/20 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
SCHEMBL3031633 0.90 AR (0.42) PGRKCNH2PLA2G7AR
SCHEMBL3031568 0.90 PGR (0.52) PGRKCNH2ARRORC
SCHEMBL3443929 0.88 PGR (0.47) PGRKCNH2PLA2G7ARRORC
SCHEMBL3031976 0.88 PGR (0.45) PGRKCNH2PLA2G7ARRORC
SCHEMBL3029375 0.88 PGR (0.49) PGRKCNH2ARRORC
SCHEMBL3031759 0.88 PGR (0.41) PGRKCNH2AR
SCHEMBL3443507 0.86 PGR (0.50) PGRKCNH2PLA2G7ARRORC
SCHEMBL3029068 0.78 PGR (0.37) PGRKCNH2PLA2G7ARRORC
SCHEMBL3021063 0.78 PGR (0.46) PGRKCNH2ARRORC
SCHEMBL3021203 0.77 PGR (0.45) PGRKCNH2PLA2G7ARRORC

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 1/4885KCNH2 2798/4885PLA2G7 1258/4885

“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.