SCHEMBL3023736

SCHEMBL3023736

CCC(CC)N1C[C@@H](C(Nc2ccc(C#N)c(Cl)c2)c2cc(F)ccc2C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2C9 P11712 5/20 0.37
CYP2D6 P10635 4/20 0.37
AR P10275 7/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3021063 0.89 PGR (0.46) PGRKCNH2CYP2C9CYP2D6AR
SCHEMBL3443507 0.88 PGR (0.50) PGRKCNH2CYP2C9CYP2D6AR
SCHEMBL3029068 0.87 PGR (0.37) PGRKCNH2AR
SCHEMBL3031759 0.86 PGR (0.41) PGRKCNH2CYP2C9CYP2D6AR
SCHEMBL3025465 0.85 PGR (0.38) PGRKCNH2AR
SCHEMBL3025100 0.79 PGR (0.46) PGRKCNH2AR
SCHEMBL3021238 0.79 PGR (0.52) PGRCYP2C9ARL3MBTL1
SCHEMBL3443929 0.77 PGR (0.47) PGRKCNH2AR
SCHEMBL3031568 0.76 PGR (0.52) PGRKCNH2AR
SCHEMBL3033988 0.75 PGR (0.52) PGRKCNH2AR

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 2798/4885CYP2C9 1057/4885

“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.