SCHEMBL3603315

SCHEMBL3603315

COc1ccc2c(c1N)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.59
ESR2 Q92731 1/20 0.54
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ADORA1 P30542 2/20 0.50
ABHD6 Q9BV23 1/20 0.47
MAPK1 P28482 1/20 0.44
ACACB O00763 1/20 0.43
UCHL1 P09936 1/20 0.42
P2RX3 P56373 3/20 0.42
SCN9A Q15858 1/20 0.41
F12 P00748 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL20216030 0.86 ESR2 (0.55) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL16038280 0.86 ESR2 (0.55) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL16039921 0.86 ESR2 (0.58) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL3605554 0.85 NR1H2 (0.62) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL3601184 0.84 NR1H2 (0.60) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL2568433 0.83 ESR2 (0.52) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL30406062 0.83 ESR2 (0.52) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL3600122 0.83 ESR2 (0.52) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL13074439 0.83 ESR2 (0.55) NR1H2ESR2MAPTKDM4EADORA1
SCHEMBL3604757 0.81 NR1H2 (0.57) NR1H2ESR2MAPTKDM4EADORA1

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 1497/4885MAPT 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.