SCHEMBL1590742

SCHEMBL1590742

COc1ccccc1CCC(=O)Nc1cccc2c(=O)n(CC3(O)CCCCC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.50
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
TSHR P16473 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL1591053 0.92 KDM4E (0.51) GRM2KDM4EALDH1A1HPGDTSHR
SCHEMBL1590633 0.89 POLB (0.41) GRM2KDM4EALDH1A1HPGDTSHR
SCHEMBL1589718 0.87 GRM2 (0.45) GRM2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1590878 0.85 GRM2 (0.49) GRM2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1590401 0.84 SHMT2 (0.48) GRM2KDM4EALDH1A1HPGDTSHR
SCHEMBL1591392 0.84 GRM2 (0.51) GRM2KDM4EALDH1A1HPGDRAB9A
SCHEMBL1591058 0.83 POLB (0.51) GRM2KDM4EALDH1A1HPGDTSHR
SCHEMBL1591010 0.83 POLB (0.41) GRM2KDM4EALDH1A1HPGDLMNA
SCHEMBL1590833 0.82 KDM4E (0.45) GRM2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1590597 0.82 POLB (0.42) GRM2KDM4EALDH1A1HPGDPOLB

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 4128/4885ALDH1A1 3640/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 GRM2 332/4885KDM4E 4128/4885ALDH1A1 3640/4885

“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.