SCHEMBL4985486

SCHEMBL4985486

CCOc1cccc(CN2CCc3c(N)ncnc3C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.43
HTR1A P08908 2/20 0.43
LIMK1 P53667 1/20 0.43
HTR2B P41595 1/20 0.43
MAP4K4 O95819 1/20 0.43
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DHFR P00374 1/20 0.41
MAPT P10636 2/20 0.41
KCNH2 Q12809 1/20 0.39
KMT2A Q03164 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
ROCK2 O75116 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL4985030 0.90 SIGMAR1 (0.50) DRD2HTR1ALIMK1HTR2BMAPT
SCHEMBL4986729 0.87 ALDH1A1 (0.49) LIMK1FAAHL3MBTL1KCNH2KMT2A
SCHEMBL4986800 0.86 KDM4E (0.44) DRD2HTR1ALIMK1HTR2BFAAH
SCHEMBL4993434 0.85 GPR52 (0.44) DRD2LIMK1DHFR
SCHEMBL4986127 0.84 LIMK1 (0.47) LIMK1MAPTMKNK1KDM4EALDH1A1
SCHEMBL4993341 0.83 MEN1 (0.51) DRD2LIMK1L3MBTL1DHFRMAPT
SCHEMBL4988843 0.82 ALDH1A1 (0.47) DRD2LIMK1L3MBTL1KCNH2KMT2A
SCHEMBL4986172 0.82 SMN1; SMN2 (0.47) LIMK1DHFRKMT2AMKNK1KDM4E
SCHEMBL4993153 0.82 FAAH (0.46) LIMK1FAAHMAPTKMT2AROCK2
SCHEMBL4982960 0.81 LIMK1 (0.61) LIMK1DHFRMAPTKMT2AMKNK1

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 1 patent. 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

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 DRD2 3142/4885HTR1A 715/4885LIMK1 1960/4885

“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.