SCHEMBL4986091

SCHEMBL4986091

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1cccnc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.42
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
F12 P00748 2/20 0.40
F2 P00734 1/20 0.40
CHRM1 P11229 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
PDE10A Q9Y233 1/20 0.39
AKR1C3 P42330 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
SCHEMBL4988448 0.88 MEN1 (0.45) CNR2AKR1C3ALDH1A1GAA
SCHEMBL4980434 0.87 MMP1 (0.41) CNR2ALDH1A1LMNAMAPT
SCHEMBL4983020 0.83 MEN1 (0.47) KDM4EHPGDCHRNB2CHRNA4CHRNB4
SCHEMBL4993377 0.83 KMT2A (0.43) POLBAKR1C3LMNAMAPT
SCHEMBL4988327 0.83 GBA1 (0.48) ALDH1A1LMNAGAA
SCHEMBL4985245 0.82 LMNA (0.38) TSHRAKR1C3ALDH1A1LMNA
SCHEMBL4988779 0.81 TDP1 (0.45) KDM4EAKR1C3ALDH1A1MAPTGAA
SCHEMBL4986174 0.81 PKM (0.46) TSHRAKR1C3LMNAGAA
SCHEMBL4991959 0.81 CD4 (0.38) KDM4EAKR1C3ALDH1A1LMNAMAPT
SCHEMBL4986140 0.81 CNR1 (0.38) AKR1C3MAPTGAA

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 CNR2 42/4885KDM4E 4128/4885HPGD 368/4885

“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.