SCHEMBL4198758

SCHEMBL4198758

COCCOCOc1cncc(C(O)CC(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
CTNNB1 P35222 1/20 0.32
PSMB5 P28074 1/20 0.31
CYP3A4 P08684 4/20 0.30
CYP2D6 P10635 4/20 0.30
SLC6A2 P23975 4/20 0.30
SLC6A4 P31645 4/20 0.30
SLC6A3 Q01959 4/20 0.30
KCNH2 Q12809 1/20 0.30
GGPS1 O95749 2/20 0.30

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
SCHEMBL13779691 0.87 CYP11B1 (0.40) CHRNB2CHRNA4CTNNB1CYP3A4CYP2D6
SCHEMBL4205042 0.85 GGPS1 (0.34) CHRNB2CHRNA4CTNNB1CYP3A4CYP2D6
SCHEMBL13779692 0.72 CHRNB2 (0.45) CHRNB2CHRNA4CTNNB1CYP3A4
SCHEMBL12015774 0.71 CHRNB2 (0.44) CHRNB2CHRNA4GGPS1
SCHEMBL4601736 0.70 GGPS1 (0.40) CHRNB2CHRNA4CTNNB1GGPS1
SCHEMBL4602800 0.68 CHRNB2 (0.38) CHRNB2CHRNA4CTNNB1CYP3A4GGPS1
SCHEMBL9446838 0.67 CHRNB2 (0.40) CHRNB2CHRNA4GGPS1
SCHEMBL9446835 0.67 CHEK2 (0.39) CHRNB2CHRNA4CYP3A4GGPS1
SCHEMBL11968475 0.67 POLB (0.35) CHRNB2CHRNA4
SCHEMBL12384145 0.66 CTNNB1 (0.42) CTNNB1CYP2D6

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-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
EP-1915338-A2 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2008-04-30 EP disclosed
WO-2007017754-A2 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2007-02-15 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-20090170886-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG CHRNB2 3454/4885CHRNA4 2681/4885CTNNB1 2697/4885

“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.