SCHEMBL306209

SCHEMBL306209

CC(=O)OC[C@@H](C)n1ccc2c(NC(=O)CC3CCCCCC3)c(C)ccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.44
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
EPHX2 P34913 2/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
KCNQ3 O43525 1/20 0.35
KCNQ2 O43526 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL306210 1.00 P2RX7 (0.44) P2RX7KMT2AALDH1A1EPHX2MEN1
SCHEMBL308276 0.88 P2RX7 (0.55) P2RX7KMT2AALDH1A1EPHX2MEN1
SCHEMBL307169 0.88 P2RX7 (0.55) P2RX7KMT2AALDH1A1EPHX2MEN1
SCHEMBL306573 0.83 P2RX7 (0.43) P2RX7LMNA
SCHEMBL306574 0.83 P2RX7 (0.43) P2RX7LMNA
SCHEMBL305996 0.80 P2RX7 (0.59) P2RX7LMNA
SCHEMBL305995 0.80 P2RX7 (0.59) P2RX7LMNA
SCHEMBL306690 0.78 P2RX7 (0.49) P2RX7EPHX2RAB9AL3MBTL1NPC1
SCHEMBL8138683 0.78 P2RX7 (0.49) P2RX7
SCHEMBL4556298 0.77 LMNA (0.37) P2RX7ALDH1A1RAB9ALMNAL3MBTL1

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-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 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
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
WO-2008112205-A1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2008-09-18 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KMT2A 4670/4885ALDH1A1 3335/4885

“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.