SCHEMBL1590730

SCHEMBL1590730

CC(C)C(C(=O)Nc1cccc2c(=O)n(CCO)ccc12)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.49
FFAR2 O15552 14/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GRM2 Q14416 1/20 0.41

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
SCHEMBL1591253 0.90 P2RX7 (0.50) P2RX7MAPTTP53ALDH1A1GRM2
SCHEMBL13048174 0.89 MAPT (0.43) P2RX7FFAR2MAPTTP53ALDH1A1
SCHEMBL8232382 0.80 GRM2 (0.48) P2RX7LMNAGRM2
SCHEMBL13047364 0.79 MAPT (0.45) P2RX7MAPTTP53ALDH1A1GRM2
SCHEMBL13048230 0.78 MAPT (0.44) P2RX7MAPTTP53ALDH1A1GRM2
SCHEMBL1590383 0.78 P2RX7 (0.71) P2RX7MAPTTP53ALDH1A1LMNA
SCHEMBL1590798 0.77 P2RX7 (0.68) P2RX7MAPTTP53GRM2
SCHEMBL1591349 0.76 KCNQ2 (0.56) P2RX7MAPTALDH1A1LMNAGRM2
SCHEMBL1590076 0.74 P2RX7 (0.56) P2RX7FFAR2MAPTTP53ALDH1A1
SCHEMBL1590073 0.74 P2RX7 (0.56) P2RX7FFAR2MAPTTP53ALDH1A1

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 6 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
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 1/4885FFAR2 454/4885MAPT 4477/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 P2RX7 1/4885FFAR2 454/4885MAPT 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.