SCHEMBL3033639

SCHEMBL3033639

Cc1ccccc1CN(c1ccc(C#N)c(Cl)c1)[C@H]1CCN(S(C)(=O)=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
CYP2C9 P11712 14/20 1.00
CYP2D6 P10635 12/20 1.00
KCNH2 Q12809 1/20 1.00

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
SCHEMBL3029189 0.93 PGR (0.86) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3029786 0.93 PGR (1.00) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3035459 0.93 PGR (1.00) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3036319 0.90 PGR (0.82) PGRCYP2C9CYP2D6KCNH2
SCHEMBL5030156 0.90 PGR (1.00) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3035009 0.90 PGR (1.00) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3034375 0.90 PGR (0.82) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3033651 0.90 PGR (1.00) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3035359 0.90 PGR (0.81) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3031960 0.90 PGR (0.81) PGRCYP2C9CYP2D6KCNH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216813-A1 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION 2010-08-26 US claimed
US-20100216813-A1 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
WO-2007065093-A2 PYRROLIDINEANILINES SMITHKLINE BEECHAM CORPORATION (US) 2007-06-07 WO 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 11/4885CYP2C9 2288/4885CYP2D6 2630/4885

“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.