SCHEMBL3034358

SCHEMBL3034358

CCN(c1ccc(C#N)c(Cl)c1)[C@H]1CCN(Cc2cccs2)C1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.64
CYP2C9 P11712 2/20 0.48
CYP2D6 P10635 1/20 0.48

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
SCHEMBL3035342 0.90 PGR (0.52) PGRCYP2C9CYP2D6
SCHEMBL3029653 0.88 PGR (0.51) PGRCYP2C9CYP2D6
SCHEMBL3035642 0.88 PGR (0.66) PGRCYP2C9CYP2D6
SCHEMBL3018075 0.87 PGR (0.73) PGRCYP2C9CYP2D6
SCHEMBL3027949 0.87 PGR (0.69) PGRCYP2C9CYP2D6
SCHEMBL3023699 0.87 PGR (0.58) PGRCYP2C9CYP2D6
SCHEMBL3018073 0.85 PGR (0.63) PGRCYP2C9CYP2D6
SCHEMBL13218963 0.85 PGR (0.63) PGRCYP2C9CYP2D6
SCHEMBL3028436 0.84 PGR (0.65) PGRCYP2C9CYP2D6
SCHEMBL3035611 0.84 PGR (0.69) PGRCYP2C9CYP2D6

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
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 11/4885CYP2C9 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.