SCHEMBL305879

SCHEMBL305879

CC(=O)OCC(C)n1ccc2c([N+](=O)[O-])c(C3CC3)ccc2c1=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 3/20 0.31
AGTR1 P30556 1/20 0.31
RAB9A P51151 1/20 0.31
MAPT P10636 1/20 0.31
MAP3K5 Q99683 1/20 0.30
NR5A1 Q13285 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL305878 1.00 P2RX7 (0.33) P2RX7MEN1KMT2AALDH1A1AGTR1
SCHEMBL307154 0.85 P2RX7 (0.42) P2RX7
SCHEMBL307153 0.85 P2RX7 (0.42) P2RX7
SCHEMBL306341 0.84 ALDH1A1 (0.34) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL306342 0.84 ALDH1A1 (0.34) P2RX7MEN1KMT2AALDH1A1MAPT
SCHEMBL12702894 0.84 GAA (0.33) P2RX7ALDH1A1AGTR1RAB9AMAPT
SCHEMBL307393 0.83 P2RX7 (0.34) P2RX7ALDH1A1AGTR1RAB9AMAPT
SCHEMBL307392 0.83 P2RX7 (0.34) P2RX7ALDH1A1AGTR1RAB9AMAPT
SCHEMBL306671 0.83 P2RX7 (0.35) P2RX7ALDH1A1MAP3K5SMN1; SMN2
SCHEMBL306670 0.83 P2RX7 (0.35) P2RX7ALDH1A1MAP3K5SMN1; SMN2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
EP-2124562-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2009-12-02 EP disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 WO disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4824/4885KMT2A 4670/4885
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4853/4885KMT2A 4614/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885MEN1 4853/4885KMT2A 4614/4885

“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.