SCHEMBL24208232

SCHEMBL24208232

CC(C)(C)CC(=O)N1C[C@@H](O)[C@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.35
CHRNA3 P32297 4/20 0.35
CHRNA4 P43681 4/20 0.35
CHRNB3 Q05901 2/20 0.35
CHRNA6 Q15825 2/20 0.35
CHRNB4 P30926 2/20 0.34
CHRNA7 P36544 2/20 0.34
LIPE Q05469 1/20 0.34
CYP3A4 P08684 2/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 1/20 0.33
DPP4 P27487 2/20 0.32
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
GRM5 P41594 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
SCHEMBL22791097 1.00 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19116482 1.00 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11890354 0.87 PDK1 (0.37) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13110281 0.87 DPP4 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22802723 0.87 LIPE (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23518450 0.84 CHRNB2 (0.44) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22787206 0.83 ALDH1A1 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22900046 0.83 CHRNB2 (0.35) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5654245 0.82 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL24450882 0.81 LIPE (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS ELI LILLY AND COMPANY 2022-01-20 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-20220017496-A1 DISUBSTITUTED PYRAZOLE COMPOUNDS SLC5A2, SLC5A1, GOT2 CHRNB2 4736/4885CHRNA3 4659/4885CHRNA4 4778/4885

“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.