SCHEMBL4153568

SCHEMBL4153568

O=C(CC1C2CC3CC(C2)CC1C3)Nc1cccc2c(=O)occc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.39
P2RX7 Q99572 11/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CASP1 P29466 1/20 0.37
POLB P06746 1/20 0.36
TAS2R8 Q9NYW2 1/20 0.34
HSD11B1 P28845 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34

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
SCHEMBL2998509 0.79 P2RX7 (0.59) P2RX7
SCHEMBL4153928 0.79 PARP1 (0.51) ALDH1A1KMT2AMEN1CASP1
SCHEMBL4141045 0.77 P2RX7 (0.48) ANO1P2RX7ALDH1A1POLBMAPT
SCHEMBL14583955 0.75 P2RX7 (0.61) P2RX7ALDH1A1KMT2AMEN1GAA
SCHEMBL5510977 0.74 TRPV1 (0.46) ANO1P2RX7
SCHEMBL8224578 0.73 P2RX7 (0.43) P2RX7
SCHEMBL2995309 0.72 P2RX7 (0.54) ANO1P2RX7ALDH1A1POLBTAS2R8
SCHEMBL3015963 0.72 P2RX7 (0.55) ANO1P2RX7ALDH1A1KMT2AMEN1
SCHEMBL1199010 0.71 P2RX7 (0.66) P2RX7ALDH1A1
SCHEMBL4378906 0.71 P2RX7 (0.47) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2009-07-02 US disclosed
US-7402596-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2008-07-22 US disclosed
US-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2007-08-23 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-20070197565-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ANO1 1352/4885P2RX7 1/4885ALDH1A1 3640/4885
US-20090170838-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 ANO1 1352/4885P2RX7 1/4885ALDH1A1 3640/4885

“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.