SCHEMBL3024142

SCHEMBL3024142

CN1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PGR P06401 13/20 0.51
POLB P06746 1/20 0.48
DPP4 P27487 2/20 0.46
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
AR P10275 3/20 0.43
KCNH2 Q12809 2/20 0.42
NR3C1 P04150 1/20 0.42
NR3C2 P08235 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3037282 0.82 PGR (0.51) PGRDPP4HDAC8HDAC6KCNH2
SCHEMBL3025009 0.80 DPP4 (0.50) PGRDPP4HDAC8HDAC6AR
SCHEMBL5031248 0.80 PGR (0.44) PGRDPP4HDAC8HDAC6AR
SCHEMBL3825571 0.79 PGR (0.49) PGRDPP4HDAC8HDAC6AR
SCHEMBL3825564 0.79 PGR (0.49) PGRDPP4HDAC8HDAC6AR
SCHEMBL3029883 0.79 PGR (0.53) PGRDPP4HDAC8HDAC6AR
SCHEMBL17948919 0.79 CHEK1 (0.46) PGRPOLBARKCNH2NR3C1
SCHEMBL13658415 0.77 POLB (0.51) POLBDPP4KCNH2
SCHEMBL4453837 0.77 PGR (0.48) PGRDPP4HDAC8HDAC6AR
SCHEMBL3029493 0.77 PGR (0.48) PGRDPP4HDAC8HDAC6AR

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-20100216813-A1 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION 2010-08-26 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-20100216813-A1 PYRROLIDINEANILINES PGF, ARG1, CYP19A1 PGR 11/4885POLB 2676/4885DPP4 3862/4885

“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.