SCHEMBL1590176

SCHEMBL1590176

CC(CO)n1ccc2c(NC(=O)Cc3ccc(Cl)c(F)c3)cccc2c1=O

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.79
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
CLK1 P49759 1/20 0.43
TRPV1 Q8NER1 1/20 0.42
NTRK1 P04629 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KCNQ2 O43526 1/20 0.39

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
SCHEMBL1592023 1.00 P2RX7 (0.79) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590173 1.00 P2RX7 (0.79) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590347 0.93 P2RX7 (0.76) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590848 0.93 P2RX7 (0.76) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590495 0.92 P2RX7 (0.80) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1591221 0.92 P2RX7 (0.80) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1591210 0.92 P2RX7 (0.80) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1591078 0.88 P2RX7 (1.00) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590639 0.88 P2RX7 (0.62) P2RX7KDM4EMAPTCLK1TRPV1
SCHEMBL1590644 0.88 P2RX7 (0.62) P2RX7KDM4EMAPTCLK1TRPV1

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 5 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
CN-101442909-A Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC (US) 2009-05-27 CN 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 1/4885KDM4E 4128/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885KDM4E 4128/4885MAPT 4477/4885

“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.