SCHEMBL3015963

SCHEMBL3015963

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

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.55
ANO1 Q5XXA6 1/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP1 P29466 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 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
SCHEMBL2995309 0.89 P2RX7 (0.54) P2RX7ANO1ALDH1A1
SCHEMBL2995172 0.84 P2RX7 (0.44) P2RX7ANO1
SCHEMBL2998985 0.84 P2RX7 (0.79) P2RX7
SCHEMBL2998992 0.84 P2RX7 (0.79) P2RX7
SCHEMBL3006015 0.83 P2RX7 (0.57) P2RX7KMT2AALDH1A1
SCHEMBL3010634 0.83 P2RX7 (0.57) P2RX7KMT2AALDH1A1
SCHEMBL4141045 0.81 P2RX7 (0.48) P2RX7ANO1ALDH1A1MAPT
SCHEMBL8233898 0.76 P2RX7 (0.47) P2RX7KMT2AALDH1A1
SCHEMBL3015968 0.76 P2RX7 (0.39) P2RX7
SCHEMBL13243837 0.76 P2RX7 (0.72) P2RX7

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 1 patent. 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

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 1352/4885KMT2A 4614/4885

“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.