SCHEMBL1590800

SCHEMBL1590800

COc1cccc(CC(=O)Nc2cccc3c(=O)n(CC(C)O)ccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
GRM2 Q14416 2/20 0.54
ROCK1 Q13464 1/20 0.51
KCNQ2 O43526 1/20 0.50
GAA P10253 1/20 0.50
PARP14 Q460N5 1/20 0.48
KDM4E B2RXH2 3/20 0.48
P2RX7 Q99572 3/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
USP2 O75604 1/20 0.46
NTSR1 P30989 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1591621 0.93 POLB (0.50) POLBGRM2ROCK1KDM4EP2RX7
SCHEMBL1591200 0.91 TP53 (0.54) POLBGRM2KCNQ2PARP14KDM4E
SCHEMBL1590515 0.91 GRM2 (0.55) POLBGRM2KDM4ECYP3A4CYP2C9
SCHEMBL1590396 0.87 P2RX7 (0.49) POLBGRM2KCNQ2GAAKDM4E
SCHEMBL1590696 0.87 LMNA (0.52) GRM2KDM4ETP53LMNAALDH1A1
SCHEMBL1590452 0.87 LMNA (0.49) GRM2KDM4ETP53LMNAALDH1A1
SCHEMBL1590676 0.86 P2RX7 (0.62) POLBGRM2ROCK1KCNQ2GAA
SCHEMBL1590267 0.86 P2RX7 (0.47) POLBGAAPARP14KDM4EP2RX7
SCHEMBL13047071 0.85 POLB (0.61) POLBGRM2ROCK1KCNQ2GAA
SCHEMBL13047557 0.85 POLB (0.61) POLBGRM2ROCK1KCNQ2GAA

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 3676/4885GRM2 332/4885ROCK1 3026/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 POLB 3676/4885GRM2 332/4885ROCK1 3026/4885

“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.