SCHEMBL1590746

SCHEMBL1590746

COc1ccccc1CCC(=O)Nc1cccc2c(=O)n(C(O)C3CCCCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
GRM2 Q14416 1/20 0.43
P2RX7 Q99572 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 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
SCHEMBL1591055 0.92 LMNA (0.51) HTTHSD17B10KDM4ETSHRP2RX7
SCHEMBL1590635 0.89 P2RX7 (0.43) HSD17B10POLBKDM4EP2RX7LMNA
SCHEMBL1589719 0.87 TP53 (0.44) POLBKDM4EGRM2P2RX7NPC1
SCHEMBL1590881 0.85 P2RX7 (0.44) HTTHSD17B10KDM4EGRM2P2RX7
SCHEMBL1590403 0.84 SHMT2 (0.45) HTTHSD17B10KDM4ETSHRP2RX7
SCHEMBL1591395 0.84 ALDH1A1 (0.47) HSD17B10POLBKDM4EGRM2P2RX7
SCHEMBL1591062 0.84 TSHR (0.47) HTTHSD17B10POLBTSHRP2RX7
SCHEMBL1591014 0.83 P2RX7 (0.41) HTTKDM4EP2RX7LMNAALDH1A1
SCHEMBL1591045 0.83 P2RX7 (0.56) HTTKDM4EGRM2P2RX7NPC1
SCHEMBL1590835 0.82 MEN1 (0.53) HTTHSD17B10POLBKDM4ETSHR

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 3 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

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 HTT 4422/4885HSD17B10 4009/4885POLB 3676/4885
US-20110092476-A1 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof P2RX7, P2RX3, P2RX2 HTT 4422/4885HSD17B10 4009/4885POLB 3676/4885

“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.