SCHEMBL3024088

SCHEMBL3024088

Cc1ccc(CN2CC[C@H](Nc3ccc(C#N)c(Cl)c3)C2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.39
CCR2 P41597 4/20 0.39
ROCK1 Q13464 4/20 0.39
DPP4 P27487 2/20 0.39
SCN8A Q9UQD0 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ACHE P22303 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3024792 0.83 ROCK2 (0.51) ROCK2CCR2ROCK1DPP4HDAC8
SCHEMBL5148134 0.83 ROCK2 (0.51) ROCK2CCR2ROCK1DPP4HDAC8
SCHEMBL5027678 0.82 CYP2D6 (0.41) ROCK2CCR2ROCK1DPP4SCN8A
SCHEMBL3033895 0.82 CYP2D6 (0.41) ROCK2CCR2ROCK1DPP4SCN8A
SCHEMBL3032958 0.81 ALDH1A1 (0.40) ROCK2CCR2ROCK1DPP4SCN8A
SCHEMBL5140554 0.81 ROCK2 (0.50) ROCK2CCR2ROCK1ACHE
SCHEMBL5031248 0.76 PGR (0.44) ROCK2CCR2ROCK1DPP4HDAC8
SCHEMBL3024142 0.76 PGR (0.51) DPP4HDAC8HDAC6POLB
SCHEMBL3029883 0.75 PGR (0.53) ROCK2CCR2ROCK1DPP4HDAC8
SCHEMBL3031592 0.74 PGR (0.51)

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 ROCK2 376/4885CCR2 838/4885ROCK1 224/4885

“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.