SCHEMBL4985277

SCHEMBL4985277

COc1ccc(CN2CCc3c(N)ncnc3C2)c(Cl)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
OPRD1 P41143 2/20 0.39
KMT2A Q03164 2/20 0.39
OPRM1 P35372 1/20 0.39
HTR5A P47898 1/20 0.39
LMNA P02545 1/20 0.39
DHFR P00374 1/20 0.39
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
SLC6A4 P31645 1/20 0.38
OPRK1 P41145 1/20 0.38
APOBEC3A P31941 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL4986767 0.85 KDM4E (0.46) MAPTKDM4ETSHROPRD1KMT2A
SCHEMBL4982816 0.81 BCHE (0.46) KDM4EKMT2ADHFRCHRM2LIMK1
SCHEMBL4986744 0.81 HSP90AB1 (0.50) MAPTKDM4ETSHRTP53DHFR
SCHEMBL4985170 0.81 KDM4E (0.56) MAPTKDM4ETSHRKMT2ALMNA
SCHEMBL4990692 0.80 KDM4E (0.52) KDM4ETSHRKMT2ALMNADHFR
SCHEMBL4983022 0.78 KDM4E (0.46) MAPTKDM4ETP53KMT2AMEN1
SCHEMBL13532637 0.78 KDM1A (0.35) MAPTKDM4ETSHRTP53OPRD1
SCHEMBL4988449 0.78 DHFR (0.45) MAPTKDM4ETSHRKMT2ADHFR
SCHEMBL4985215 0.77 DHFR (0.54) MAPTKDM4EDHFRLIMK1
SCHEMBL4985337 0.77 DHFR (0.52) DHFRDRD2DRD4DRD3LIMK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 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 (1 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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 MAPT 4477/4885KDM4E 4128/4885TSHR 3850/4885

“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.