SCHEMBL21661348

SCHEMBL21661348

CC(C)NC(=O)[C@@]1(F)CCNC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CHRM5 P08912 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MME P08473 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
SCHEMBL23866610 1.00 CYP1A2 (0.42) CYP1A2CHRM5CHRM3ALDH1A1RAB9A
SCHEMBL23033208 0.80 ALDH1A1 (0.39) CYP1A2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL14966383 0.79 CYP1A2 (0.31) CYP1A2
SCHEMBL14966231 0.79 CYP1A2 (0.31) CYP1A2
SCHEMBL21661359 0.79 KDM4E (0.38) CHRNB2CHRNA7CHRNA4KMT2AKDM4E
SCHEMBL23135518 0.78 ALDH1A1 (0.38) CYP1A2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL25481755 0.78 MEN1 (0.38) CYP1A2ALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL13990340 0.78 CYP1A2 (0.42) CYP1A2CHRM5CHRM3ALDH1A1CHRNB2
SCHEMBL21661207 0.77 CYP2D6 (0.38) CYP1A2KMT2AKDM4E
SCHEMBL23866605 0.77 CYP2D6 (0.38) CYP1A2KMT2AKDM4E

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 3 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
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO 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 CYP1A2 1870/4885CHRM5 1694/4885CHRM3 1258/4885

“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.