SCHEMBL1591028

SCHEMBL1591028

CCOc1ccc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.47
POLB P06746 3/20 0.46
NLRP3 Q96P20 1/20 0.45
RORA P35398 1/20 0.45
NR5A1 Q13285 1/20 0.45
RAB9A P51151 3/20 0.44
GRM2 Q14416 2/20 0.44
NPC1 O15118 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNA1H O95180 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL13047087 0.93 P2RX7 (0.48) P2RX7POLBNLRP3RORANR5A1
SCHEMBL1591022 0.90 GRM2 (0.53) P2RX7POLBNLRP3RAB9AGRM2
SCHEMBL1591191 0.87 P2RX7 (0.51) P2RX7POLBNLRP3RAB9AGRM2
SCHEMBL1590790 0.85 RORA (0.49) P2RX7POLBNLRP3RORANR5A1
SCHEMBL13047212 0.85 TP53 (0.55) P2RX7POLBNLRP3RORANR5A1
SCHEMBL14407695 0.84 P2RX7 (0.53) P2RX7POLBNLRP3HPGDALDH1A1
SCHEMBL13046867 0.84 POLB (0.50) P2RX7POLBNLRP3RORANR5A1
SCHEMBL1591463 0.83 POLB (0.50) P2RX7POLBRAB9AGRM2HPGD
SCHEMBL13048049 0.83 MAPT (0.51) P2RX7POLBNLRP3RORANR5A1
SCHEMBL13047083 0.83 GRM2 (0.53) P2RX7POLBNLRP3RAB9AGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 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
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US 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 (2 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885NLRP3 72/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885NLRP3 72/4885

“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.