SCHEMBL4471458

SCHEMBL4471458

O=C(NC(O)C1CCCCCC1)c1cc(-c2cc(C(F)(F)F)[nH]n2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
XDH P47989 1/20 0.40
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
CRHR1 P34998 8/20 0.37
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MLLT3 P42568 1/20 0.35
MLLT1 Q03111 1/20 0.35

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
SCHEMBL13372761 0.89 P2RX7 (0.44) P2RX7XDHCRHR1ALOX15
SCHEMBL4482040 0.88 P2RX7 (0.44) P2RX7XDHCRHR1ALOX15
SCHEMBL4461071 0.86 P2RX7 (0.45) P2RX7CRHR1MLLT3MLLT1
SCHEMBL4460890 0.85 P2RX7 (0.58) P2RX7CRHR1
SCHEMBL4470990 0.85 CCNA2 (0.44) P2RX7CRHR1MLLT3MLLT1
SCHEMBL2182583 0.83 P2RX7 (0.58) P2RX7
SCHEMBL4469388 0.81 P2RX7 (0.41) P2RX7
SCHEMBL4473225 0.80 NOTUM (0.40) P2RX7XDH
SCHEMBL4471082 0.78 P2RX7 (0.40) P2RX7
SCHEMBL2168116 0.77 P2RX7 (0.40) P2RX7CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP claimed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP claimed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US claimed
EP-1837330-B1 Benzamide inhibitors of the P2X7 receptor PFIZER PROD INC (US) 2012-10-24 EP disclosed
US-7553972-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2009-06-30 US disclosed
EP-1837330-A1 Benzamide inhibitors of the P2X7 receptor Pfizer Products Inc. (US) 2007-09-26 EP disclosed
US-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER INC. 2007-06-21 US disclosed
US-7186742-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC (US) 2007-03-06 US disclosed
EP-1626962-B1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PROD INC (US) 2007-02-28 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 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 (2 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-20070142329-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885XDH 925/4885HSD17B1 3394/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885XDH 925/4885HSD17B1 3394/4885

“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.