SCHEMBL3033982

SCHEMBL3033982

Cc1ccc(CN2CC[C@H](N(Cc3ccccc3Cl)c3ccc(C#N)c(Cl)c3)C2)s1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 20/20 0.70
CYP2C9 P11712 7/20 0.62
CYP2D6 P10635 6/20 0.62
KCNH2 Q12809 3/20 0.56
AR P10275 2/20 0.56
NR3C1 P04150 1/20 0.56
NR3C2 P08235 1/20 0.56

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
SCHEMBL13218780 0.94 PGR (0.69) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3034425 0.92 PGR (0.67) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3024304 0.91 PGR (0.70) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3024418 0.89 PGR (0.59) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3018075 0.86 PGR (0.73) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3036050 0.86 PGR (0.80) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3031592 0.85 PGR (0.51) PGRCYP2C9CYP2D6KCNH2
SCHEMBL3028692 0.85 PGR (0.76) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3033202 0.85 PGR (0.53) PGRCYP2C9CYP2D6KCNH2AR
SCHEMBL3036354 0.85 PGR (0.70) PGRCYP2C9CYP2D6KCNH2AR

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.