SCHEMBL3594966

SCHEMBL3594966

Clc1cccc(-c2cnnn2Cc2cccc3c2OCC3)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.57
KCNH2 Q12809 2/20 0.36
CCR8 P51685 1/20 0.36
MAPT P10636 1/20 0.34
CYP2A13 Q16696 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
EED O75530 1/20 0.33
SUZ12 Q15022 1/20 0.33
EZH2 Q15910 1/20 0.33
CNR2 P34972 2/20 0.33
NPBWR1 P48145 1/20 0.33

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
SCHEMBL3591004 0.76 P2RX7 (0.67) P2RX7
SCHEMBL3595458 0.73 P2RX7 (1.00) P2RX7
SCHEMBL4781227 0.67 KCNH2 (0.33) P2RX7KCNH2CCR8SLC6A2SLC6A4
SCHEMBL2007697 0.65 PARP1 (0.52) KCNH2SLC6A2SLC6A4
SCHEMBL14180987 0.64 CNR1 (0.48) KCNH2CCR8MAPTEEDNPBWR1
SCHEMBL8747037 0.64 PARP1 (0.47) KCNH2CCR8SLC6A2SLC6A4
SCHEMBL27953930 0.64 P2RX7 (0.81) P2RX7
SCHEMBL10078675 0.63 P2RX7 (0.73) P2RX7
SCHEMBL512639 0.61 PARP1 (0.47) KCNH2CCR8SLC6A2SLC6A4
SCHEMBL1150915 0.61 PARP1 (0.51) KCNH2CCR8SLC6A2SLC6A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 US claimed
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US disclosed
US-20070105842-A1 P2X7 receptor antagonists and methods of use ABBVIE INC. 2007-05-10 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-20070105842-A1 P2X7 receptor antagonists and methods of use P2RX7, P2RX1, P2RX3 P2RX7 1/4885KCNH2 271/4885CCR8 756/4885

“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.