SCHEMBL4989353

SCHEMBL4989353

CC12CC3CC(C)(C1)CC(CC(=O)Nc1ncnc4c1CCN(Cc1ccc5cc[nH]c5c1)C4)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.36
P2RX3 P56373 1/20 0.36
P2RX2 Q9UBL9 1/20 0.36
THRB P10828 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 2/20 0.32
MCHR1 Q99705 3/20 0.32
EGFR P00533 1/20 0.32
FLT1 P17948 1/20 0.32
KCNH2 Q12809 1/20 0.32
MCHR2 Q969V1 1/20 0.32
CACNA1H O95180 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL4982976 0.90 P2RX7 (0.40) FAAHP2RX3P2RX2LMNAEPHX2
SCHEMBL4989382 0.86 LMNA (0.38) THRBLMNAUSP2MAPTHPGD
SCHEMBL14272269 0.85 MAPK14 (0.37) EPHX2KDM4ESMN1; SMN2
SCHEMBL4991840 0.85 BRS3 (0.37) LMNAMAPTEPHX2KDM4EHTT
SCHEMBL4980818 0.85 ALDH1A1 (0.39) FAAHLMNAMAPTHPGDMCHR1
SCHEMBL4985472 0.84 P2RX7 (0.41) FAAHLMNAMCHR1EGFRFLT1
SCHEMBL4982656 0.80 P2RX7 (0.38) THRBLMNAMAPTTP53
SCHEMBL5144590 0.80 GPR6 (0.35)
SCHEMBL4985493 0.80 EPHX2 (0.35) EPHX2HTT
SCHEMBL5141408 0.80 P2RX7 (0.38) FAAHMAPTTP53

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 FAAH 494/4885P2RX3 2/4885P2RX2 3/4885

“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.