SCHEMBL6859331

SCHEMBL6859331

Cc1cc(N2C[C@H](C)NC[C@H]2C)ccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.36
CYP11B2 P19099 2/20 0.35
RAD52 P43351 1/20 0.35
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
ADAM10 O14672 1/20 0.34
CHRNB2 P17787 4/20 0.33
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CHRNA4 P43681 4/20 0.33
CHRM4 P08173 1/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL13269795 1.00 AR (0.36) ARCYP11B2RAD52XIAPBIRC2
SCHEMBL3570406 1.00 AR (0.36) ARCYP11B2RAD52XIAPBIRC2
SCHEMBL6859327 1.00 AR (0.36) ARCYP11B2RAD52XIAPBIRC2
SCHEMBL4597254 0.89 AR (0.38) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL4597253 0.89 AR (0.38) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3568982 0.89 AR (0.38) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23134696 0.85 AR (0.52) AR
SCHEMBL3565131 0.85 PIM1 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6860724 0.85 PIM1 (0.37) ARCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL3559757 0.85 PARP1 (0.39) ARCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040010037-A1 Cyanophenyl derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2004-01-15 US claimed

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-20040010037-A1 Cyanophenyl derivative BPHL, AR, KLK3 AR 2/4885CYP11B2 348/4885RAD52 1741/4885

“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.