SCHEMBL1590951

SCHEMBL1590951

CC(C)(O)Cn1ccc2c(NC(=O)CCc3ccccc3Cl)cccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.50
P2RX7 Q99572 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 3/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.40
PTGER3 P43115 2/20 0.39
CASP3 P42574 1/20 0.39
CASP7 P55210 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
SCHEMBL13046663 0.93 GRM2 (0.51) GRM2P2RX7SMN1; SMN2HPGDL3MBTL1
SCHEMBL1591185 0.91 GRM2 (0.53) GRM2P2RX7SMN1; SMN2HPGDMAPT
SCHEMBL1590433 0.89 ALDH1A1 (0.41) GRM2P2RX7HPGDPOLBALDH1A1
SCHEMBL1590402 0.84 GRM2 (0.50) GRM2P2RX7SMN1; SMN2HPGDL3MBTL1
SCHEMBL13047063 0.84 GRM2 (0.53) GRM2P2RX7SMN1; SMN2HPGDMAPT
SCHEMBL13046701 0.83 TP53 (0.55) GRM2P2RX7SMN1; SMN2HPGDL3MBTL1
SCHEMBL13046629 0.83 GRM2 (0.54) GRM2P2RX7SMN1; SMN2HPGDL3MBTL1
SCHEMBL13046654 0.82 ALDH1A1 (0.44) GRM2P2RX7HPGDPOLBALDH1A1
SCHEMBL1590626 0.82 P2RX7 (0.44) GRM2P2RX7HPGDPOLBALDH1A1
SCHEMBL1591439 0.82 KMT2A (0.52) SMN1; SMN2HPGDPOLBALDH1A1KDM4E

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 9 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-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-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
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 GRM2 332/4885P2RX7 1/4885SMN1; SMN2 4369/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885P2RX7 1/4885SMN1; SMN2 4369/4885

“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.