SCHEMBL22018167

SCHEMBL22018167

C[C@]1(O)C[C@@H](c2nc3c(N)nc4ccccc4c3[nH]2)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.40
ADORA1 P30542 3/20 0.40
ADORA2A P29274 2/20 0.40
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
BCHE P06276 1/20 0.38
TSPO P30536 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
NUDT1 P36639 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TNK2 Q07912 1/20 0.36
TRPA1 O75762 1/20 0.35

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
SCHEMBL20970138 0.81 ADORA3 (0.43) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970112 0.81 ADORA3 (0.43) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970121 0.81 ADORA3 (0.56) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL29501901 0.81 ADORA3 (0.60) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970111 0.80 ADORA3 (0.47) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970142 0.80 ADORA3 (0.47) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970141 0.80 ADORA3 (0.43) ADORA3ADORA1ADORA2ATLR8TLR7
SCHEMBL19503480 0.79 ADORA3 (0.48) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970193 0.78 PARP1 (0.46) ADORA3ADORA1ADORA2ATSPODRD3
SCHEMBL20970140 0.74 PARP1 (0.50) ADORA3ADORA1ADORA2ATSPODRD3

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
US-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 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 (2 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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 ADORA3 486/4885ADORA1 289/4885ADORA2A 379/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 ADORA3 486/4885ADORA1 289/4885ADORA2A 379/4885

“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.