SCHEMBL23866602

SCHEMBL23866602

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 1/20 0.38
MMP1 P03956 1/20 0.34
MMP8 P22894 1/20 0.34
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRD1 P41143 1/20 0.33
KCNH2 Q12809 1/20 0.33
EPHX1 P07099 2/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HPGD P15428 1/20 0.32
EPHX2 P34913 4/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 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
SCHEMBL21661207 1.00 CYP2D6 (0.38) CYP2D6CYP2C19MMP1MMP8RECQL
SCHEMBL23866605 1.00 CYP2D6 (0.38) CYP2D6CYP2C19MMP1MMP8RECQL
SCHEMBL21661015 0.90 CYP2D6 (0.36) CYP2D6CYP2C19MMP1MMP8RECQL
SCHEMBL21661208 0.90 CYP2D6 (0.36) CYP2D6CYP2C19MMP1MMP8RECQL
SCHEMBL21661359 0.78 KDM4E (0.38) KDM4EKMT2A
SCHEMBL23866531 0.78 POLB (0.37) MMP1KDM4EPOLBKMT2AEPHX1
SCHEMBL23866610 0.77 CYP1A2 (0.42) KDM4EKMT2ACYP1A2
SCHEMBL21661348 0.77 CYP1A2 (0.42) KDM4EKMT2ACYP1A2
SCHEMBL21970964 0.77 POLB (0.42) CYP2D6CYP2C19MMP1MMP8RECQL
SCHEMBL20069269 0.73 CYP2D6 (0.38) CYP2D6CYP2C19MMP1MMP8RECQL

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 CYP2D6 2475/4885CYP2C19 2784/4885MMP1 4698/4885

“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.