SCHEMBL14129191

SCHEMBL14129191

CC(C)c1cnc(C2CCNCC2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 6/20 0.42
TLR8 Q9NR97 6/20 0.42
TLR7 Q9NYK1 6/20 0.42
MAP4K3 Q8IVH8 3/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM4 P08173 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGDS O60760 1/20 0.35
HTR2C P28335 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK5 Q00535 1/20 0.34

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
SCHEMBL17480649 0.88 CDK2 (0.39) TLR9TLR8TLR7CCNE1CDK2
SCHEMBL23137881 0.84 CCNE1 (0.37) MAP4K3KMT2ACHRM4RAB9ACCNE1
SCHEMBL23136937 0.84 CCNE1 (0.37) TLR9TLR8TLR7MAP4K3CCNE1
SCHEMBL21872038 0.83 CCNE1 (0.36) MAP4K3KMT2ACHRM4RAB9ACCNE1
SCHEMBL23137885 0.83 CCNE1 (0.36) MAP4K3KMT2ACHRM4RAB9ACCNE1
SCHEMBL21872198 0.83 CCNE1 (0.36) MAP4K3KMT2ACHRM4RAB9ACCNE1
SCHEMBL9906379 0.79 MLYCD (0.36) TLR9TLR8TLR7CCNE1CDK2
SCHEMBL9906382 0.78 TLR9 (0.36) TLR9TLR8TLR7HRH3CCNE1
SCHEMBL14314252 0.77 MEN1 (0.42) TLR9TLR8TLR7MAP4K3CHRNB2
SCHEMBL9906381 0.75 CCNE1 (0.35) CCNE1CDK2CDK5

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-20080182837-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-31 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-20080182837-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 TLR9 4403/4885TLR8 4767/4885TLR7 3658/4885

“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.