SCHEMBL6469017

SCHEMBL6469017

CCC(COC)Nc1cnc(C(N)=O)cn1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.45
HCAR2 Q8TDS4 1/20 0.45
SIRT6 Q8N6T7 2/20 0.44
SYK P43405 5/20 0.40
ADRA1A P35348 2/20 0.40
TAS1R3 Q7RTX0 3/20 0.35
TAS1R1 Q7RTX1 3/20 0.35
TAS1R2 Q8TE23 1/20 0.35
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PCSK9 Q8NBP7 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
SCHEMBL6469022 0.80 HCAR3 (0.38) HCAR3HCAR2SYKADRA1ATAS1R3
SCHEMBL5044822 0.75 HCAR3 (0.51) HCAR3HCAR2SIRT6ADRA1APCSK9
SCHEMBL30482996 0.75 HCAR3 (0.51) HCAR3HCAR2SIRT6ADRA1APCSK9
SCHEMBL16824379 0.70 HCAR3 (0.51) HCAR3HCAR2ADRA1ATAS1R3TAS1R1
SCHEMBL30802800 0.69 NNMT (0.55) HCAR3SIRT6ADRA1APCSK9
SCHEMBL27730675 0.68 SIRT6 (0.51) HCAR3SIRT6
SCHEMBL4253812 0.67 SIRT6 (0.53) SIRT6ADRA1AHDAC3HDAC1HDAC2
SCHEMBL6468902 0.67 FYN (0.46) HCAR3HCAR2SYKADRA1A
SCHEMBL19645365 0.66 SIRT6 (0.67) SIRT6ADRA1A
SCHEMBL2635320 0.66 SIRT6 (0.73) HCAR2SIRT6ADRA1A

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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 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-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA HCAR3 748/4885HCAR2 1142/4885SIRT6 750/4885

“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.