SCHEMBL3589498

SCHEMBL3589498

CC(C)(C)OC(=O)N1CCCN(c2ncccc2CNc2nncn2-c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.71
ACHE P22303 2/20 0.43
PDE10A Q9Y233 1/20 0.40
TRPA1 O75762 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
CNR2 P34972 1/20 0.40
POLB P06746 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL3291342 0.87 P2RX7 (0.57) P2RX7
SCHEMBL3535170 0.84 P2RX7 (0.53) P2RX7
SCHEMBL3595426 0.84 P2RX7 (1.00) P2RX7DRD2
SCHEMBL3596097 0.82 P2RX7 (1.00) P2RX7DRD2
SCHEMBL3586477 0.82 P2RX7 (1.00) P2RX7DRD2
SCHEMBL3593483 0.78 P2RX7 (0.84) P2RX7DRD2
SCHEMBL3292110 0.77 P2RX7 (0.44) P2RX7ACHEPDE10APOLB
SCHEMBL253634 0.75 MEN1 (0.55) TRPV1POLBDRD2
SCHEMBL3533100 0.75 DGAT2 (0.48) ACHETRPA1TRPV1CNR2POLB
SCHEMBL3287405 0.74 PDE10A (0.51) ACHEPDE10ATRPA1TRPV1POLB

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
US-7709469-B2 P2X7 receptor antagonists and methods of use ABBOTT LABORATORIES (US) 2010-05-04 US claimed
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 1/4885ACHE 1881/4885PDE10A 512/4885

“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.