SCHEMBL29311787

SCHEMBL29311787

CC[C@@H](C)Nc1ccc(-n2c(=O)n(C)c3cccnc32)cn1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.43
PDE10A Q9Y233 9/20 0.37
GSK3B P49841 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
THRB P10828 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
USP1 O94782 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ACACB O00763 1/20 0.32

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
SCHEMBL27253329 1.00 HCAR3 (0.43) HCAR3PDE10AGSK3BRXFP1THRB
SCHEMBL27261699 0.86 HCAR3 (0.46) HCAR3GSK3BHCAR2
SCHEMBL27261879 0.79 HCAR3 (0.43) HCAR3PDE10AHCAR2TMEM97SIGMAR1
SCHEMBL27446451 0.78 PDE10A (0.40) PDE10AGSK3BUSP1
SCHEMBL27250770 0.77 PDE10A (0.44) PDE10AGSK3B
SCHEMBL27253112 0.77 HCAR3 (0.41) HCAR3HCAR2
SCHEMBL27260889 0.76 ADORA2A (0.42) HCAR3
SCHEMBL27253073 0.76 HCAR3 (0.57) HCAR3HCAR2
SCHEMBL30825851 0.75 USP14 (0.42) PDE10AGSK3B
SCHEMBL27252120 0.75 USP14 (0.42) PDE10AGSK3B

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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2024-07-11 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-20240228469-A1 PCSK9 INHIBITORS AND METHODS OF USE THEREOF PCSK9, PCSK7, PCSK6 HCAR3 2359/4885PDE10A 1135/4885GSK3B 130/4885

“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.