SCHEMBL6288229

SCHEMBL6288229

O=C(NCC12CC3CC(CC(C3)C1)C2)c1cc(-n2cnc(=O)[nH]c2=O)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.56
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL6247451 0.83 P2RX7 (0.80) P2RX7
SCHEMBL6290777 0.76 P2RX7 (0.72) P2RX7
SCHEMBL6246639 0.74 P2RX7 (0.63) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL6247207 0.72 P2RX7 (1.00) P2RX7
SCHEMBL6248279 0.72 P2RX7 (0.80) P2RX7MEN1ALDH1A1KMT2A
SCHEMBL6260965 0.70 P2RX7 (0.77) P2RX7
SCHEMBL6290790 0.70 P2RX7 (0.95) P2RX7
SCHEMBL14160432 0.70 P2RX7 (0.71) P2RX7EPHX2
SCHEMBL6290778 0.68 P2RX7 (0.78) P2RX7
SCHEMBL6288218 0.66 P2RX7 (0.66) 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
US-6927219-B2 N-alkyl-adamantyl triazinyl benzamide derivatives PFIZER INC. (US) 2005-08-09 US disclosed
US-20030144293-A1 N-alkyl-adamantyl triazinyl benzamide derivatives PFIZER INC. 2003-07-31 US disclosed
WO-2003042190-A1 N-ALKYL-ADAMANTYL DERIVATIVES AS P2X7-RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 WO disclosed
EP-1310493-A1 N-adamantylalkyl benzamide derivates as p2x7-receptor antagonists Pfizer Products Inc. (US) 2003-05-14 EP 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-20030144293-A1 N-alkyl-adamantyl triazinyl benzamide derivatives AIFM1, BAD, BID P2RX7 1205/4885EPHX2 2828/4885MEN1 1470/4885

“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.