SCHEMBL4698607

SCHEMBL4698607

Clc1cccc(-n2nc3c(c2NCc2cccnc2)CCC3)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.57
PKM P14618 1/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
LTA4H P09960 1/20 0.39
NAMPT P43490 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
SCHEMBL4696025 0.80 P2RX7 (0.59) P2RX7
SCHEMBL4755588 0.79 P2RX7 (0.57) P2RX7
SCHEMBL4750584 0.78 P2RX7 (0.59) P2RX7
SCHEMBL5449744 0.78 NPC1 (0.48) MAPTTDP1DRD2DRD3ALDH1A1
SCHEMBL5448293 0.76 P2RX7 (0.54) P2RX7
SCHEMBL4754259 0.75 P2RX7 (0.62) P2RX7NPSR1TDP1DRD2DRD4
SCHEMBL4700388 0.75 P2RX7 (0.50) P2RX7
SCHEMBL4699709 0.74 P2RX7 (0.51) P2RX7
SCHEMBL3590729 0.73 P2RX7 (1.00) P2RX7
SCHEMBL3293536 0.72 P2RX7 (0.76) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963275-A2 P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF Abbott Laboratories (US) 2008-09-03 EP claimed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US claimed
WO-2007056091-A2 2-PHENYL-2H-PYRAZ0LE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-05-18 WO claimed
US-20070259920-A1 P2X7, receptor antagonists and uses thereof ABBOTT LABORATORIES 2007-11-08 US disclosed

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-20070259920-A1 P2X7, receptor antagonists and uses thereof P2RX7, P2RX1, P2RX3 P2RX7 1/4885PKM 2139/4885MAPT 3930/4885

“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.