SCHEMBL8233333

SCHEMBL8233333

Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.46
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL12703116 0.87 P2RX7 (0.37) P2RX7KDM4EALDH1A1LMNAGAA
SCHEMBL308304 0.82 P2RX7 (0.38) P2RX7ALDH1A1LMNA
SCHEMBL308303 0.82 P2RX7 (0.38) P2RX7ALDH1A1LMNA
SCHEMBL4555250 0.81 ALDH1A1 (0.34) P2RX7KDM4EALDH1A1LMNAGAA
SCHEMBL4448219 0.81 P2RX7 (0.47) P2RX7KDM4E
SCHEMBL13114613 0.79 P2RX7 (0.53) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL17577837 0.79 P2RX7 (0.53) P2RX7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL305691 0.79 P2RX7 (0.43) P2RX7ALDH1A1GAA
SCHEMBL305725 0.79 P2RX7 (0.43) P2RX7ALDH1A1GAA
SCHEMBL3589094 0.78 P2RX7 (0.49) P2RX7KDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093265-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2012-01-10 US disclosed
US-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2008-11-20 US disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO 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 (1 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-20080287415-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4307/4885ALDH1A1 3335/4885

“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.