SCHEMBL8229764

SCHEMBL8229764

Nc1c(Cl)ccc2c(=O)n(CCO)ccc12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.45
PARP1 P09874 1/20 0.43
GRM2 Q14416 4/20 0.36
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.31
DHPS P49366 1/20 0.30
BCL6 P41182 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL12702994 0.85 GRM2 (0.50) PARP1GRM2MAPT
SCHEMBL305986 0.80 ALDH1A1 (0.43) P2RX7PARP1GRM2MAPTPOLB
SCHEMBL306305 0.77 P2RX7 (0.42) P2RX7PARP1GRM2MAPT
SCHEMBL1896689 0.75 PARP1 (0.71) P2RX7PARP1GRM2MAPTPOLB
SCHEMBL12703012 0.72 P2RX7 (0.63) P2RX7PARP1GRM2MAPTPOLB
SCHEMBL307388 0.70 P2RX7 (0.74) P2RX7MAPTPOLB
SCHEMBL12668514 0.69 PARP1 (0.48) P2RX7PARP1GRM2POLB
SCHEMBL1895897 0.69 PARP1 (0.48) P2RX7PARP1GRM2POLBDHPS
SCHEMBL18066984 0.68 EGLN1 (0.41) PARP1MAPTPOLB
SCHEMBL12702890 0.68 P2RX7 (0.38) P2RX7GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 1/4885PARP1 1754/4885GRM2 332/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885PARP1 1754/4885GRM2 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.