SCHEMBL26382005

SCHEMBL26382005

CC(C)C(=O)[C@@H]1CNC[C@H](C(=O)C(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 13/20 0.41
CHRNA4 P43681 13/20 0.41
CHRNA3 P32297 11/20 0.41
CHRNB4 P30926 10/20 0.41
CHRNA7 P36544 8/20 0.41
GBA1 P04062 1/20 0.34
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
NOS2 P35228 1/20 0.32
SLC6A1 P30531 2/20 0.31
SLC6A11 P48066 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A13 Q9NSD5 1/20 0.31

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
SCHEMBL20666279 0.90
SCHEMBL19704891 0.87 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL14547676 0.82 CHRNB2 (0.41) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2985783 0.82 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL9906266 0.82 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL22548935 0.82 CHRNB2 (0.34) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL2986783 0.80 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA3CHRNB4CHRNA7
SCHEMBL23658084 0.77 GABRA5 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7884824 0.77 GABRA5 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL20368646 0.77 GABRA5 (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 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-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 CHRNB2 600/4885CHRNA4 655/4885CHRNA3 509/4885

“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.