SCHEMBL21645166

SCHEMBL21645166

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.45
TLR7 Q9NYK1 2/20 0.41
TLR8 Q9NR97 2/20 0.38
EIF2AK4 Q9P2K8 1/20 0.37
TRPV1 Q8NER1 6/20 0.37
SCN9A Q15858 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TNF P01375 1/20 0.35
CXCL8 P10145 1/20 0.35
PAX8 Q06710 1/20 0.35
KLF5 Q13887 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TLR9 Q9NR96 1/20 0.35
NPC1 O15118 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 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
SCHEMBL21645079 0.89 NCF1 (0.42) NCF1TLR7TLR8TRPV1SCN9A
SCHEMBL21661514 0.87 KMT2A (0.40) TLR7TLR8EIF2AK4KMT2AMEN1
SCHEMBL21645231 0.87 KMT2A (0.40) TLR7TLR8EIF2AK4KMT2AMEN1
SCHEMBL21661062 0.86 EIF2AK4 (0.37) NCF1TLR7TLR8EIF2AK4TRPV1
SCHEMBL21645283 0.86 EIF2AK4 (0.37) NCF1TLR7TLR8EIF2AK4TRPV1
SCHEMBL21661609 0.84 NCF1 (0.41) NCF1TLR7TLR8TRPV1KMT2A
SCHEMBL21661610 0.84 NCF1 (0.41) NCF1TLR7TLR8TRPV1KMT2A
SCHEMBL23091597 0.82 TLR7 (0.44) NCF1TLR7TLR8EIF2AK4TRPV1
SCHEMBL19828894 0.82 TLR8 (0.51) TLR7TLR8TLR9
SCHEMBL16634353 0.82 TLR8 (0.51) TLR7TLR8TLR9

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 5 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
EP-3830080-A1 TLR7/8 ANTAGONISTS AND USES THEREOF Merck Patent GmbH (DE) 2021-06-09 EP disclosed
WO-2020025517-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-02-06 WO 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.