SCHEMBL2995309

SCHEMBL2995309

C[C@@H](C(N)=O)n1ccc2c(NC(=O)CC3C4CC5CC(C4)CC3C5)cccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.54
ANO1 Q5XXA6 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.34
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL3015963 0.89 P2RX7 (0.55) P2RX7ANO1ALDH1A1
SCHEMBL2995172 0.84 P2RX7 (0.44) P2RX7ANO1TAS2R8
SCHEMBL308155 0.84 P2RX7 (0.71) P2RX7ANO1TAS2R8
SCHEMBL13243941 0.83 P2RX7 (0.78) P2RX7
SCHEMBL3016089 0.83 P2RX7 (0.78) P2RX7
SCHEMBL2995313 0.83 P2RX7 (0.78) P2RX7
SCHEMBL4141045 0.83 P2RX7 (0.48) P2RX7ANO1ALDH1A1POLBKDM4E
SCHEMBL13243937 0.82 P2RX7 (0.58) P2RX7ALDH1A1
SCHEMBL13243931 0.82 P2RX7 (0.58) P2RX7ALDH1A1
SCHEMBL13243959 0.80 P2RX7 (0.51) P2RX7ALDH1A1POLBKDM4EHPGD

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 2 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
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 1/4885ANO1 1352/4885TAS2R8 3713/4885

“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.