SCHEMBL23866581

SCHEMBL23866581

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
CHRNB3 Q05901 1/20 0.46
CHRNA6 Q15825 1/20 0.46
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
SLC9A1 P19634 1/20 0.34
PIK3CD O00329 1/20 0.33
TACR1 P25103 1/20 0.31
EPHX2 P34913 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
SCHEMBL21661510 1.00 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20682378 0.84 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL27410286 0.81 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL6523733 0.80 SPR (0.32)
SCHEMBL19000006 0.78 CHRNB2 (0.57) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21661355 0.77 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL4546655 0.75 SPR (0.43) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26775904 0.74 DPP4 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26644049 0.74 DPP4 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26644052 0.74 DPP4 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CHRNB2 2068/4885CHRNA3 2292/4885CHRNA4 2498/4885

“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.