SCHEMBL3607315

SCHEMBL3607315

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NR1H2 P55055 1/20 0.51
MAPT P10636 3/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
KCNH2 Q12809 1/20 0.45
MAPK1 P28482 1/20 0.43
ABHD6 Q9BV23 3/20 0.42
UCHL1 P09936 2/20 0.41
P2RX3 P56373 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SCN9A Q15858 1/20 0.40
MKNK1 Q9BUB5 2/20 0.39
HDAC1 Q13547 1/20 0.39
ACACB O00763 1/20 0.39

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 0.87 ESR2 (0.53) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL3600122 0.86 ESR2 (0.52) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL13037519 0.86 ESR2 (0.55) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL3597423 0.83 ESR2 (0.49) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL29405503 0.82 ESR2 (0.55) ESR2NR1H2MAPTMAPK1ABHD6
SCHEMBL19642882 0.82 ESR2 (0.55) ESR2NR1H2MAPTMAPK1ABHD6
SCHEMBL7893732 0.81 ESR1 (0.48) ESR2ABHD6
SCHEMBL38653305 0.80 MAPT (0.49) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL4880504 0.80 ESR2 (0.53) ESR2NR1H2MAPTALDH1A1LMNA
SCHEMBL2119725 0.79 ABHD6 (0.65) ESR2NR1H2MAPTMAPK1ABHD6

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 ESR2 1497/4885NR1H2 176/4885MAPT 4473/4885

“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.