SCHEMBL1590480

SCHEMBL1590480

CC(C(=O)Nc1cccc2c(=O)n([C@@H](C(N)=O)c3ccccc3)ccc12)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.42
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.37
KCNQ2 O43526 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PABPC1 P11940 1/20 0.35
PTGER3 P43115 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
MAPK14 Q16539 1/20 0.34
SHMT2 P34897 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
SCHEMBL1590478 1.00 P2RX7 (0.42) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1590479 1.00 P2RX7 (0.42) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13134852 0.91 P2RX7 (0.39) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27744085 0.90 MAPT (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1589986 0.90 MAPT (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1589984 0.90 MAPT (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1589988 0.90 MAPT (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27744084 0.90 MAPT (0.40) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1591225 0.89 P2RX7 (0.44) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1590418 0.89 P2RX7 (0.44) P2RX7CYP1A2CYP3A4CYP2D6CYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. 2011-04-21 US claimed
US-7816371-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2010-10-19 US claimed
US-20070225324-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof SECOND GENOME, INC. 2007-09-27 US claimed
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 1/4885CYP1A2 1172/4885CYP3A4 1221/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885CYP1A2 1172/4885CYP3A4 1221/4885

“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.