SCHEMBL3010787

SCHEMBL3010787

CC(C)(C)OC(=O)N1CCCC1Cn1ccc2c(NC(=O)CC3(O)CCCCCC3)cccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.46
IL1B P01584 3/20 0.45
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
KDM1A O60341 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PDE7B Q9NP56 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
SCHEMBL3010788 1.00 P2RX7 (0.46) P2RX7IL1BLMNAALDH1A1TP53
SCHEMBL3005627 0.88 P2RX7 (0.50) P2RX7ALDH1A1HTTHSD17B10
SCHEMBL4991423 0.87 P2RX7 (0.62) P2RX7IL1BLMNAALDH1A1TP53
SCHEMBL4990712 0.87 P2RX7 (0.62) P2RX7IL1BLMNAALDH1A1TP53
SCHEMBL4141335 0.87 P2RX7 (0.62) P2RX7IL1BLMNAALDH1A1TP53
SCHEMBL13048212 0.86 P2RX7 (0.52) P2RX7IL1BLMNAALDH1A1TP53
SCHEMBL3008441 0.78 PARP1 (0.45) P2RX7IL1BALDH1A1KDM1A
SCHEMBL1589857 0.78 PARP1 (0.45) P2RX7IL1BALDH1A1KDM1A
SCHEMBL1589856 0.78 PARP1 (0.45) P2RX7IL1BALDH1A1KDM1A
SCHEMBL1590044 0.78 P2RX7 (0.62) P2RX7IL1BPOLB

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 1/4885IL1B 105/4885LMNA 1911/4885

“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.