SCHEMBL4474336

SCHEMBL4474336

O=C(NCC(O)c1ccccc1)c1cc(-c2cc(CCO)n[nH]2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
P2RX7 Q99572 6/20 0.41
KMT2A Q03164 1/20 0.41
F9 P00740 3/20 0.40
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
GPR139 Q6DWJ6 1/20 0.37
AGTR1 P30556 2/20 0.37

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
SCHEMBL4558532 0.86 P2RX7 (0.44) KDM4EP2RX7KMT2AF9
SCHEMBL4458899 0.81 P2RX7 (0.62) KDM4ENPC1RAB9AP2RX7KMT2A
SCHEMBL4558533 0.81 F9 (0.38) NPC1RAB9AP2RX7F9AGTR1
SCHEMBL4461833 0.76 P2RX7 (0.69) P2RX7
SCHEMBL4480308 0.76 P2RX7 (0.69) P2RX7
SCHEMBL4461839 0.74 P2RX7 (0.41) SMN1; SMN2P2RX7
SCHEMBL4480315 0.74 P2RX7 (0.41) SMN1; SMN2P2RX7
SCHEMBL4469819 0.72 P2RX7 (0.68) P2RX7
SCHEMBL4463754 0.71 P2RX7 (0.62) KDM4EP2RX7KMT2A
SCHEMBL4475062 0.71 P2RX7 (0.55) 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 9 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 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
EP-1626962-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR Pfizer Products Inc. (US) 2006-02-22 EP disclosed
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor ZOETIS LLC 2005-01-13 US disclosed
WO-2004099146-A1 BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR PFIZER PRODUCTS INC. (US) 2004-11-18 WO 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 KDM4E 4185/4885TAAR1 407/4885NPC1 1512/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 KDM4E 4185/4885TAAR1 407/4885NPC1 1512/4885

“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.