SCHEMBL8229899

SCHEMBL8229899

C[C@@H](CO)n1ccc2c(N)cccc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.49
PARP1 P09874 3/20 0.48
TDP1 Q9NUW8 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.35
ELANE P08246 1/20 0.35
TTR P02766 1/20 0.35
RECQL P46063 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
TDP2 O95551 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL13243839 1.00 P2RX7 (0.49) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL3589094 1.00 P2RX7 (0.49) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL12702817 0.88 PARP1 (0.47) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL12702932 0.87 PARP1 (0.46) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL12668528 0.87 PARP1 (0.46) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL1590518 0.85 PARP1 (0.50) P2RX7PARP1TDP1ALDH1A1TSHR
SCHEMBL13114613 0.84 P2RX7 (0.53) P2RX7TDP1ALDH1A1TSHRHSD17B10
SCHEMBL17577837 0.84 P2RX7 (0.53) P2RX7TDP1ALDH1A1TSHRHSD17B10
SCHEMBL30349861 0.83 PARP1 (0.47) PARP1TDP1ALDH1A1TSHRHSD17B10
SCHEMBL305866 0.81 PARP1 (0.45) P2RX7PARP1TDP1ALDH1A1TSHR

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-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
US-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2010-07-22 US disclosed
WO-2007109201-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-20100184802-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885PARP1 1754/4885TDP1 2440/4885

“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.