SCHEMBL4481135

SCHEMBL4481135

Cc1ccc(C(NC(=O)c2cc(-c3cc(CCO)n[nH]3)ccc2C)C2CCCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
ROCK2 O75116 3/20 0.40
ROCK1 Q13464 1/20 0.40
KCNA5 P22460 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR1 P21453 1/20 0.37
CTSS P25774 2/20 0.34
TSHR P16473 1/20 0.34
PDE2A O00408 2/20 0.34
MAPK14 Q16539 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 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
SCHEMBL4475069 0.92 HSD17B1 (0.44) HSD17B1HSD17B2KCNA5NPC1RAB9A
SCHEMBL4473124 0.87 ROCK2 (0.41) ROCK2ROCK1NPC1RAB9AKMT2A
SCHEMBL4474665 0.87 ROCK2 (0.41) ROCK2ROCK1NPC1RAB9AKMT2A
SCHEMBL4479562 0.79 ROCK2 (0.36) ROCK2ROCK1MAPK14
SCHEMBL4480315 0.76 P2RX7 (0.41) S1PR1
SCHEMBL4461839 0.76 P2RX7 (0.41) S1PR1
SCHEMBL4481132 0.76 P2RX7 (0.44) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4474660 0.73 P2RX7 (0.54)
SCHEMBL4473116 0.73 P2RX7 (0.54)
SCHEMBL13618876 0.71 HSD17B1 (0.49) HSD17B1HSD17B2KCNA5MEN1KMT2A

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 HSD17B1 3394/4885HSD17B2 3943/4885ROCK2 1314/4885
US-20050009900-A1 Benzamide inhibitors of the P2X7 receptor IL1R1, P2RY1, P2RX1 HSD17B1 3394/4885HSD17B2 3943/4885ROCK2 1314/4885

“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.