SCHEMBL1591392

SCHEMBL1591392

COc1cccc(CCC(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.51
KDM4E B2RXH2 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
POLB P06746 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
MAOB P27338 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA2B P29275 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RAB9A P51151 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CASP3 P42574 1/20 0.41
CASP7 P55210 1/20 0.41
KCNQ2 O43526 1/20 0.41
GAA P10253 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
SCHEMBL1590878 0.91 GRM2 (0.49) GRM2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1590381 0.89 TP53 (0.40) GRM2KDM4EPOLBALDH1A1RAB9A
SCHEMBL1590689 0.87 TSHR (0.44) CYP3A4CYP2C9MAPK1HCAR2KCNQ2
SCHEMBL1590204 0.87 POLB (0.46) GRM2KDM4EPOLBALDH1A1MAPK1
SCHEMBL1591307 0.84 GRM2 (0.48) GRM2KDM4EPOLBALDH1A1MAPK1
SCHEMBL1590742 0.84 GRM2 (0.50) GRM2KDM4EPOLBALDH1A1HSD17B10
SCHEMBL1590760 0.83 TRPV1 (0.46) GRM2KDM4EALDH1A1MAPK1CASP1
SCHEMBL1590401 0.83 SHMT2 (0.48) GRM2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1590833 0.83 KDM4E (0.45) GRM2KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL1591456 0.82 KDM4E (0.46) KDM4EPOLBALDH1A1HSD17B10RAB9A

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 332/4885KDM4E 4128/4885CYP3A4 1221/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885KDM4E 4128/4885CYP3A4 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.