SCHEMBL4110446

SCHEMBL4110446

CCc1nn(Cc2ccncc2)c(CC)c1Oc1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 2/20 0.36
KCNH2 Q12809 2/20 0.36
CYP19A1 P11511 2/20 0.36
CNR1 P21554 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
SCHEMBL4104410 0.88 PGR (0.42) PGRPTGDR2CYP11B1CYP11B2KCNH2
SCHEMBL4104401 0.87 CYP19A1 (0.46) PGRCYP11B1CYP11B2CYP19A1
SCHEMBL4115324 0.85 PGR (0.49) PGRCYP11B2KCNH2CYP19A1
SCHEMBL4098757 0.83 PGR (0.47) PGRCYP11B1CYP11B2KCNH2CYP19A1
SCHEMBL4106530 0.82 PGR (0.49) PGRCYP11B1CYP11B2KCNH2CYP19A1
SCHEMBL4108120 0.81 PGR (0.40) PGRCYP11B1CYP11B2CYP19A1
SCHEMBL4112135 0.81 PGR (0.40) PGRPTGDR2CYP11B1CYP11B2KCNH2
SCHEMBL4112060 0.81 PGR (0.42) PGRPTGDR2CYP11B2KCNH2
SCHEMBL13889243 0.81 PGR (0.42) PGRPTGDR2CYP11B2KCNH2CYP19A1
SCHEMBL4097849 0.80 PGR (0.59) PGRCYP11B1CYP11B2KCNH2

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-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885PTGDR2 58/4885CYP11B1 413/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885PTGDR2 77/4885CYP11B1 476/4885

“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.