SCHEMBL3029883

SCHEMBL3029883

N#Cc1ccc(N[C@H]2CCN(CCC(F)(F)F)C2)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.53
DPP4 P27487 3/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 5/20 0.38
KCNH2 Q12809 2/20 0.38
NR3C1 P04150 1/20 0.38
NR3C2 P08235 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ROCK2 O75116 4/20 0.37
CCR2 P41597 2/20 0.37
ROCK1 Q13464 2/20 0.37
IDO1 P14902 1/20 0.37
ACHE P22303 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
SCHEMBL5031248 0.79 PGR (0.44) PGRDPP4HDAC8HDAC6AR
SCHEMBL3024142 0.79 PGR (0.51) PGRDPP4HDAC8HDAC6AR
SCHEMBL5148134 0.76 ROCK2 (0.51) DPP4HDAC8HDAC6L3MBTL1ROCK2
SCHEMBL3024792 0.76 ROCK2 (0.51) DPP4HDAC8HDAC6L3MBTL1ROCK2
SCHEMBL5140554 0.76 ROCK2 (0.50) PGRKCNH2CYP2D6CYP2C9ROCK2
SCHEMBL3024088 0.75 ROCK2 (0.39) DPP4HDAC8HDAC6L3MBTL1ROCK2
SCHEMBL5027678 0.75 CYP2D6 (0.41) DPP4HDAC8HDAC6CYP2D6ROCK2
SCHEMBL3033895 0.75 CYP2D6 (0.41) DPP4HDAC8HDAC6CYP2D6ROCK2
SCHEMBL3032958 0.74 ALDH1A1 (0.40) DPP4HDAC8HDAC6L3MBTL1ROCK2
SCHEMBL3035631 0.73 PGR (0.75) PGRARKCNH2NR3C1NR3C2

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 11/4885DPP4 3862/4885HDAC8 667/4885

“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.