SCHEMBL24960002

SCHEMBL24960002

COc1cc(C(N)=O)ncc1C(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.49
▸ P2RX3 P56373 4/20 0.46
▸ P2RX2 Q9UBL9 4/20 0.46
▸ PDE4A P27815 2/20 0.44
▸ PDE4B Q07343 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ PDE4D Q08499 2/20 0.44
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ APP P05067 1/20 0.39
▸ NNMT P40261 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ TRPC6 Q9Y210 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL22448800 0.85 P2RX3 (0.40) SIRT6P2RX3P2RX2POLBGAA
SCHEMBL23047437 0.81 TRPC6 (0.55) SIRT6P2RX3P2RX2PDE4APDE4B
SCHEMBL24960091 0.81 HPGDS (0.42) P2RX3P2RX2MAPK1TSHRMEN1
SCHEMBL1673227 0.78 TSHR (0.50) SIRT6PDE4APDE4BPDE4CPDE4D
SCHEMBL22448707 0.77 LCK (0.46) SIRT6P2RX3P2RX2TSHRALDH1A1
SCHEMBL24959354 0.77 SIRT6 (0.49) SIRT6PDE4APDE4BPDE4CPDE4D
SCHEMBL22448804 0.77 P2RX3 (0.39) P2RX3P2RX2POLBGAAGFER
SCHEMBL22439412 0.76 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL29839611 0.76 P2RX3 (0.67) P2RX3P2RX2
SCHEMBL24960105 0.75 SIRT6 (0.47) SIRT6PDE4APDE4BPDE4CPDE4D

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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-01-26 — — 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-20230021705-A1 GLP-1R MODULATING COMPOUNDS GLP1R, GIPR, GPR119 SIRT6 764/4885P2RX3 177/4885P2RX2 290/4885

“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.

Send feedback