SCHEMBL22845499

SCHEMBL22845499

Cn1c(=O)c2c(n3nccc13)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
ESR2 Q92731 1/20 0.41
P2RX3 P56373 9/20 0.41
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
PARP2 Q9UGN5 1/20 0.40
ADORA1 P30542 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F12 P00748 1/20 0.38

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
SCHEMBL22845477 0.82 P2RX3 (0.46) P2RX3MAPK1
SCHEMBL22718494 0.80 P2RX3 (0.47) P2RX3MAPTKDM4E
SCHEMBL31413169 0.69 ESR2 (0.57) NR1H2ESR2PARP1TNKS2PARP2
SCHEMBL969755 0.69 HDAC6 (0.52) NR1H2ESR2ADORA1MAPK1KDM4E
SCHEMBL17645596 0.69 MAPT (0.53) NR1H2ESR2DDB1CRBNMAPK1
SCHEMBL25420734 0.69 ESR2 (0.53) NR1H2ESR2P2RX3PARP1TNKS2
SCHEMBL15208166 0.68 ESR2 (0.49) NR1H2ESR2P2RX3PARP1TNKS2
SCHEMBL15825114 0.68 ESR2 (0.52) NR1H2ESR2ADORA1MAPK1MAPT
SCHEMBL2456692 0.68 MAPT (0.46) NR1H2ESR2P2RX3PARP1TNKS2
SCHEMBL25604387 0.67 ESR2 (0.45) NR1H2ESR2P2RX3PARP1TNKS2

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-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 US disclosed
US-11136321-B2 Tricyclic compounds ALIGOS THERAPEUTICS, INC. (US) 2021-10-05 US disclosed
US-20200407361-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-31 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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL NR1H2 477/4885ESR2 4181/4885P2RX3 3237/4885
US-11136321-B2 Tricyclic compounds SLC10A1, PKD1, CEL NR1H2 477/4885ESR2 4181/4885P2RX3 3237/4885
US-20200407361-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL NR1H2 477/4885ESR2 4181/4885P2RX3 3237/4885

“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.