SCHEMBL25825506

SCHEMBL25825506

Cc1cncc2c(CC(C)C)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
PSMD14 O00487 1/20 0.33
COPS5 Q92905 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ALOX5AP P20292 1/20 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
SCHEMBL25820134 0.79 HTR1A (0.53) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL18179845 0.75 CCR1 (0.58) CCNCCDK8CCR1CCR5CCR8
SCHEMBL23841191 0.73 LOXL2 (0.37) CCNCCDK8PTGDR2PDE3BPDE3A
SCHEMBL13261339 0.73 AOC1 (0.41) PTGDR2GABRA1GABRB2
SCHEMBL25820107 0.73 ADK (0.38) CCR1CCR5CCR8HTR1AADRA1D
SCHEMBL25819906 0.71 LATS1 (0.39) PTGDR2PDE3BPDE3A
SCHEMBL20887569 0.70 CCNC (0.43) CCNCCDK8CCR1CCR5CCR8
SCHEMBL26504001 0.67 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL23434902 0.67 KDM4E (0.37) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL2494065 0.67 LOXL2 (0.58) HTR1AADRA1DADRA1AADRA1B

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-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CCNC 821/4885CDK8 567/4885CCR1 4312/4885

“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.