SCHEMBL4207181

SCHEMBL4207181

CCC(Oc1ccc(C#N)c(Cl)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.49
AR P10275 1/20 0.49
NOS2 P35228 10/20 0.47
CYP2D6 P10635 8/20 0.47
SLC6A2 P23975 8/20 0.47
KCNH2 Q12809 2/20 0.46
S1PR3 Q99500 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
IGLV6-57 P01721 1/20 0.44
SLC6A9 P48067 1/20 0.41

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
SCHEMBL4192800 0.82 AR (0.52) SLC6A4ARNOS2CYP2D6SLC6A2
SCHEMBL4193837 0.81 AR (0.58) AR
SCHEMBL27376804 0.80 AR (0.52) SLC6A4ARNOS2CYP2D6SLC6A2
SCHEMBL14619456 0.79 SLC6A4 (0.52) SLC6A4NOS2IGLV6-57SLC6A9
SCHEMBL4196414 0.78 AR (0.46) SLC6A4ARNOS2CYP2D6SLC6A2
SCHEMBL13577155 0.76 SLC6A4 (0.52) SLC6A4NOS2IGLV6-57SLC6A9
SCHEMBL1299930 0.76 IGLV6-57 (0.50) SLC6A4IGLV6-57SLC6A9
SCHEMBL4200960 0.75 SLC6A2 (0.49) SLC6A4ARCYP2D6SLC6A2S1PR3
SCHEMBL177449 0.75 AR (0.53) ARMRGPRX4
SCHEMBL4203972 0.74 AR (0.44) SLC6A4ARNOS2CYP2D6SLC6A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
US-20090170886-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-02 US disclosed
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
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 SLC6A4 957/4885AR 1/4885NOS2 4008/4885

“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.