SCHEMBL3604757

SCHEMBL3604757

CC(C)(C)OC(=O)N1CCc2c(ccc(C3CC3)c2N)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.57
ESR2 Q92731 1/20 0.52
UCHL1 P09936 1/20 0.48
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
ADORA1 P30542 2/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.43
IGF1R P08069 1/20 0.42
NAMPT P43490 1/20 0.42
SCN9A Q15858 1/20 0.42
KDM1A O60341 1/20 0.41
RORC P51449 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
F12 P00748 2/20 0.40
HPGDS O60760 1/20 0.40
PARP1 P09874 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40

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
SCHEMBL29586774 0.86 DDB1 (0.56) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL21326156 0.86 DDB1 (0.56) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL3597423 0.83 ESR2 (0.49) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL3605554 0.83 NR1H2 (0.62) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL3601184 0.82 NR1H2 (0.60) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL24773720 0.81 NR1H2 (0.60) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL3603315 0.81 NR1H2 (0.59) NR1H2ESR2UCHL1ADORA1KDM4E
SCHEMBL394214 0.79 NR1H2 (0.60) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL29526229 0.79 NR1H2 (0.60) NR1H2ESR2UCHL1DDB1CRBN
SCHEMBL16517988 0.79 ESR2 (0.48) NR1H2ESR2UCHL1DDB1CRBN

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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
US-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof RENOVIS, INC. 2010-11-25 US disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed
WO-2007109182-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 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-20100298285-A1 Biclycloheteroaryl Compounds as P2x7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX1 NR1H2 176/4885ESR2 1497/4885UCHL1 4181/4885

“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.