SCHEMBL4985381

SCHEMBL4985381

CCCN1CCc2[c]nc(C(N)=O)nc2C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.33
PARP2 Q9UGN5 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
F2 P00734 1/20 0.31
F12 P00748 1/20 0.31
ALDH1A1 P00352 1/20 0.30
THRB P10828 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR2 P34972 1/20 0.30
GRM2 Q14416 1/20 0.30

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
SCHEMBL4982898 0.93 CNR2 (0.35) LMNAMAPTDRD2DRD3ALDH1A1
SCHEMBL4988738 0.91 CNR2 (0.39) LMNAMAPTDRD2DRD3CNR2
SCHEMBL4989498 0.90 MAPT (0.39) PARP1PARP2LMNAMAPTF12
SCHEMBL4985154 0.86 GRM5 (0.36) PARP1ALDH1A1
SCHEMBL4989112 0.84 OPRM1 (0.35)
SCHEMBL4986773 0.84 C5AR1 (0.35) GRM2
SCHEMBL4983866 0.81 GRM2 (0.33) PARP1PARP2DRD2CNR2GRM2
SCHEMBL4991245 0.81 OPRM1 (0.38)
SCHEMBL4992359 0.80 MEN1 (0.41) GRM2
SCHEMBL4985523 0.80 KMT2A (0.37) MAPTF2F12ALDH1A1

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 PARP1 1754/4885PARP2 2583/4885LMNA 1911/4885

“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.