SCHEMBL1589563

SCHEMBL1589563

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

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.64
POLB P06746 1/20 0.50
ROCK1 Q13464 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
TSHR P16473 1/20 0.42
KCNQ2 O43526 1/20 0.42
GRM2 Q14416 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP14 Q460N5 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1590154 0.91 P2RX7 (0.65) P2RX7POLBLMNASMN1; SMN2KCNQ2
SCHEMBL1591138 0.87 P2RX7 (0.68) P2RX7POLBLMNAHTTSMN1; SMN2
SCHEMBL1590419 0.87 P2RX7 (0.67) P2RX7POLBKCNQ2
SCHEMBL1590994 0.87 P2RX7 (0.57) P2RX7POLBLMNAHTTSMN1; SMN2
SCHEMBL1591754 0.87 P2RX7 (0.57) P2RX7POLBLMNAHTTSMN1; SMN2
SCHEMBL1590904 0.86 P2RX7 (0.56) P2RX7POLBGRM2
SCHEMBL1590377 0.84 P2RX7 (0.59) P2RX7LMNAHTTSMN1; SMN2GAA
SCHEMBL1590357 0.83 P2RX7 (0.58) P2RX7POLBGAAGRM2MAPK1
SCHEMBL5137977 0.83 P2RX7 (0.70) P2RX7POLBKCNQ2PARP14L3MBTL1
SCHEMBL1591621 0.82 POLB (0.50) P2RX7POLBROCK1LMNAGRM2

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 P2RX7 1/4885POLB 3676/4885ROCK1 3026/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885POLB 3676/4885ROCK1 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.