SCHEMBL3597423

SCHEMBL3597423

CC(C)(C)OC(=O)N1CCc2c(ccc(C3CC3)c2[N+](=O)[O-])C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.49
NR1H2 P55055 1/20 0.48
UCHL1 P09936 1/20 0.46
DDB1 Q16531 2/20 0.45
CRBN Q96SW2 2/20 0.45
MAPT P10636 3/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IGF1R P08069 1/20 0.41
SCN9A Q15858 1/20 0.40
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 2/20 0.38
THRB P10828 1/20 0.38
PTPN2 P17706 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
SCHEMBL3601094 0.84 ESR2 (0.53) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL3604757 0.83 NR1H2 (0.57) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL3600122 0.83 ESR2 (0.52) ESR2NR1H2UCHL1MAPTALDH1A1
SCHEMBL13037519 0.83 ESR2 (0.55) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL3607315 0.83 ESR2 (0.52) ESR2NR1H2UCHL1MAPTALDH1A1
SCHEMBL21326156 0.83 DDB1 (0.56) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL29586774 0.83 DDB1 (0.56) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL24773704 0.80 ESR2 (0.46) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL31034858 0.80 ESR2 (0.46) ESR2NR1H2UCHL1DDB1CRBN
SCHEMBL17197559 0.78 UCHL1 (0.52) ESR2NR1H2UCHL1DDB1CRBN

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 4 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

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 ESR2 1497/4885NR1H2 176/4885UCHL1 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.