SCHEMBL4986741

SCHEMBL4986741

NC(=O)c1n[c]c2c(n1)CN(C(=O)c1cc(F)ccc1F)CC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.41
GRM5 P41594 4/20 0.38
HDAC8 Q9BY41 1/20 0.38
PDE2A O00408 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
P2RX7 Q99572 4/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
MAPK14 Q16539 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL4985089 0.92 KDM4E (0.42) GRM5PDE2AP2RX7MAPK14
SCHEMBL4982536 0.90 P2RX7 (0.39) PDE2AP2RX7MAPK14
SCHEMBL4986225 0.87 GRM5 (0.46) GRM5HCRTR1HCRTR2
SCHEMBL4982974 0.85 GRM5 (0.45) GRM5KCNH2
SCHEMBL4984810 0.84 KMT2A (0.43) GRM5PDE2A
SCHEMBL4989744 0.83 ALDH1A1 (0.51) PARP1GRM5KCNH2
SCHEMBL4988635 0.82 EPHX2 (0.39)
SCHEMBL4989344 0.82 LMNA (0.43) GRM5HCRTR1HCRTR2MAPK14
SCHEMBL4988879 0.81 P2RX7 (0.48) P2RX7
SCHEMBL4982578 0.79 HTT (0.50) P2RX7

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 1754/4885GRM5 231/4885HDAC8 1673/4885

“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.