SCHEMBL1590878

SCHEMBL1590878

COc1ccc(CCC(=O)Nc2cccc3c(=O)n(CC4(O)CCCCC4)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 6/20 0.49
GAA P10253 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 1/20 0.44
TP53 P04637 1/20 0.44
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HSD17B10 Q99714 2/20 0.40
P2RX7 Q99572 1/20 0.40
HTT P42858 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
SCHEMBL1591392 0.91 GRM2 (0.51) GRM2GAAKDM4EMAPK1ALDH1A1
SCHEMBL1591307 0.91 GRM2 (0.48) GRM2KDM4EMAPK1TP53ALDH1A1
SCHEMBL1590760 0.88 TRPV1 (0.46) GRM2KDM4EMAPK1TP53ALDH1A1
SCHEMBL1590742 0.85 GRM2 (0.50) GRM2KDM4EALDH1A1KMT2ARAB9A
SCHEMBL1590204 0.85 POLB (0.46) GRM2GAAKDM4EMAPK1ALDH1A1
SCHEMBL1590381 0.85 TP53 (0.40) GRM2KDM4ETP53ALDH1A1RAB9A
SCHEMBL1590248 0.84 GRM2 (0.46) GRM2KDM4EHDAC1MEN1KMT2A
SCHEMBL1590689 0.83 TSHR (0.44) MAPK1HCAR2P2RX7
SCHEMBL1590401 0.83 SHMT2 (0.48) GRM2KDM4EMAPK1ALDH1A1MEN1
SCHEMBL1590833 0.83 KDM4E (0.45) GRM2KDM4EMAPK1ALDH1A1MEN1

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 8 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-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 332/4885GAA 4179/4885KDM4E 4128/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885GAA 4179/4885KDM4E 4128/4885

“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.