SCHEMBL3036361

SCHEMBL3036361

CN1CC[C@H](N(Cc2ccc(Cl)cc2)c2ccc(C#N)c(Cl)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 1.00
CYP2D6 P10635 5/20 0.67
CYP2C9 P11712 5/20 0.67
KCNH2 Q12809 3/20 0.67
AR P10275 2/20 0.67
NR3C1 P04150 1/20 0.67
NR3C2 P08235 1/20 0.67

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
SCHEMBL3028279 0.92 PGR (1.00) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3024789 0.90 PGR (0.81) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3033806 0.90 PGR (1.00) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3032383 0.88 PGR (0.81) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3033873 0.87 PGR (1.00) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3028286 0.87 PGR (0.80) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3024114 0.87 PGR (0.83) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3034207 0.87 PGR (0.83) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3035617 0.86 PGR (0.82) PGRCYP2D6CYP2C9KCNH2AR
SCHEMBL3035850 0.86 PGR (0.82) PGRCYP2D6CYP2C9KCNH2AR

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 disclosed
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 11/4885CYP2D6 2630/4885CYP2C9 2288/4885

“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.