SCHEMBL1591463

SCHEMBL1591463

COc1cc(CC(=O)Nc2cccc3c(=O)n(CC(C)(C)O)ccc23)cc(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
P2RX7 Q99572 3/20 0.48
GRM2 Q14416 4/20 0.48
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.44
ROCK1 Q13464 1/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNQ2 O43526 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
RAB9A P51151 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
SCHEMBL1590642 0.93 POLB (0.60) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL13047106 0.93 POLB (0.51) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL1591022 0.91 GRM2 (0.53) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL1591798 0.87 P2RX7 (0.50) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL13047071 0.86 POLB (0.61) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL1590792 0.86 SHMT2 (0.49) POLBGRM2KDM4EALDH1A1HPGD
SCHEMBL1590514 0.86 GRM2 (0.57) POLBGRM2KDM4EALDH1A1HPGD
SCHEMBL13047231 0.85 TP53 (0.55) POLBP2RX7GRM2KDM4EALDH1A1
SCHEMBL14407695 0.85 P2RX7 (0.53) POLBP2RX7KDM4EALDH1A1HPGD
SCHEMBL1591621 0.84 POLB (0.50) POLBP2RX7GRM2KDM4EALDH1A1

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
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
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 POLB 3676/4885P2RX7 1/4885GRM2 332/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885P2RX7 1/4885GRM2 332/4885

“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.