SCHEMBL6468944

SCHEMBL6468944

CC(C)(C)CCNCc1cnc(C(N)=O)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.44
OPRM1 P35372 4/20 0.35
OPRK1 P41145 4/20 0.35
OPRD1 P41143 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
NAMPT P43490 1/20 0.33
KMT2A Q03164 1/20 0.33
METTL3 Q86U44 1/20 0.31
SCN9A Q15858 1/20 0.31
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
VNN1 O95497 1/20 0.30
MLYCD O95822 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
SCHEMBL6468982 0.81 SIRT6 (0.41) SIRT6OPRM1OPRK1OPRD1ADORA3
SCHEMBL5132527 0.79 SIRT6 (0.41) SIRT6OPRM1OPRK1OPRD1ADORA3
SCHEMBL6468946 0.78 MEN1 (0.41) OPRM1OPRK1KMT2A
SCHEMBL6470753 0.78 SIRT6 (0.40) SIRT6OPRM1OPRK1OPRD1ADORA3
SCHEMBL3700113 0.77 OPRM1 (0.52) SIRT6OPRM1OPRK1OPRD1
SCHEMBL30874231 0.76 SIRT6 (0.49) SIRT6OPRM1OPRK1OPRD1ADORA3
SCHEMBL14592876 0.76 SIRT6 (0.53) SIRT6ADORA3TSHRMC4RADRA1A
SCHEMBL6468945 0.76 SIRT6 (0.42) SIRT6OPRM1OPRK1ADORA3TSHR
SCHEMBL3693747 0.73 SIRT6 (0.41) SIRT6OPRM1OPRK1OPRD1
SCHEMBL6193692 0.72 HDAC1 (0.35) OPRM1OPRK1OPRD1JAK2JAK1

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 2 patents. 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 claimed
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 SIRT6 750/4885OPRM1 1245/4885OPRK1 1334/4885

“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.