SCHEMBL21661609

SCHEMBL21661609

C[C@@H]1CN(c2ccc(C(F)(F)F)c3ncccc23)C[C@H](CN2CCN(C)CC2)O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
TLR7 Q9NYK1 7/20 0.39
TLR8 Q9NR97 7/20 0.39
TLR9 Q9NR96 6/20 0.39
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KMT2A Q03164 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
RAD52 P43351 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.35
METAP2 P50579 1/20 0.34

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
SCHEMBL21661610 1.00 NCF1 (0.41) NCF1TLR7TLR8TLR9GAA
SCHEMBL21661206 0.87 TLR8 (0.35) NCF1TLR7TLR8TLR9GAA
SCHEMBL21661470 0.87 KDM4E (0.38) NCF1TLR7TLR8TLR9TRPV1
SCHEMBL21645079 0.86 NCF1 (0.42) NCF1TLR7TLR8TLR9GAA
SCHEMBL21661365 0.85 KDM4E (0.37) NCF1TLR7TLR8TLR9USP2
SCHEMBL21661354 0.85 KDM4E (0.37) NCF1TLR7TLR8TLR9USP2
SCHEMBL21645166 0.84 NCF1 (0.45) NCF1TLR7TLR8TLR9MEN1
SCHEMBL16633919 0.84 TLR8 (0.52) TLR7TLR8TLR9GAASMN1; SMN2
SCHEMBL16633920 0.84 TLR8 (0.52) TLR7TLR8TLR9GAASMN1; SMN2
SCHEMBL21661188 0.84 NCF1 (0.37) NCF1TLR7TLR8TLR9TRPV1

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
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US 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 NCF1 892/4885TLR7 1/4885TLR8 2/4885

“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.