SCHEMBL3013168

SCHEMBL3013168

O=C(CC1(O)CCCCCC1)Nc1cccc2c(=O)n(C[C@H]3CCCN3)ccc12

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 12/20 0.75
USP7 Q93009 1/20 0.45
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
IL1B P01584 3/20 0.34
PARP1 P09874 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
SCHEMBL13243824 1.00 P2RX7 (0.75) P2RX7USP7HTTHSD17B10KDM4E
Hydrochloric Acid SCHEMBL3008930 0.99 P2RX7 (0.73) P2RX7USP7HTTHSD17B10KDM4E
Hydrochloric Acid SCHEMBL3008932 0.99 P2RX7 (0.73) P2RX7USP7HTTHSD17B10KDM4E
SCHEMBL4140614 0.85 P2RX7 (1.00) P2RX7
SCHEMBL4144851 0.85 P2RX7 (1.00) P2RX7
SCHEMBL4140984 0.85 P2RX7 (1.00) P2RX7
SCHEMBL13243954 0.84 P2RX7 (0.70) P2RX7USP7HTTHSD17B10KDM4E
SCHEMBL13243955 0.84 P2RX7 (0.70) P2RX7USP7HTTHSD17B10KDM4E
SCHEMBL3005627 0.81 P2RX7 (0.50) P2RX7HTTHSD17B10KDM4ETSHR
SCHEMBL13243880 0.81 P2RX7 (0.51) P2RX7KDM4EALDH1A1HPGDPARP1

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 4 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
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 1/4885USP7 4352/4885HTT 4422/4885

“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.