SCHEMBL1591144

SCHEMBL1591144

CC(C(=O)Nc1cccc2c(=O)n([C@H](CO[Si](C)(C)C(C)(C)C)C(N)=O)ccc12)c1cccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.39
TRPV1 Q8NER1 2/20 0.34
CXCL8 P10145 3/20 0.33
MAPK14 Q16539 3/20 0.32
PTGS2 P35354 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL1591156 0.92 P2RX7 (0.39) P2RX7TRPV1CXCL8MAPK14PTGS2
SCHEMBL1590128 0.87 P2RX7 (0.37) P2RX7
SCHEMBL1589917 0.80 P2RX7 (0.41) P2RX7TRPV1MAPK14
SCHEMBL1591142 0.80 P2RX7 (0.39) P2RX7TRPV1
SCHEMBL13135963 0.79 NR3C2 (0.38) P2RX7
SCHEMBL1590582 0.79 P2RX7 (0.40) P2RX7TRPV1
SCHEMBL1590573 0.79 P2RX7 (0.40) P2RX7TRPV1
SCHEMBL1590581 0.79 P2RX7 (0.40) P2RX7TRPV1
SCHEMBL2995172 0.76 P2RX7 (0.44) P2RX7
SCHEMBL2995169 0.75 P2RX7 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1933622-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-03-09 EP disclosed
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US disclosed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US disclosed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 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-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885CXCL8 183/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885TRPV1 19/4885CXCL8 183/4885

“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.