SCHEMBL3472532

SCHEMBL3472532

COCC(O)Cn1c(=O)cnn(-c2ccc(C)c(C(=O)NCC3(CO)CCCCCC3)c2)c1=O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.70
HPGD P15428 1/20 0.33
TP53 P04637 1/20 0.32
JAK1 P23458 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
HCN1 O60741 1/20 0.32
CNR2 P34972 1/20 0.32

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
SCHEMBL3473323 0.92 P2RX7 (0.83) P2RX7
SCHEMBL14090859 0.92 P2RX7 (0.83) P2RX7
SCHEMBL3476055 0.91 P2RX7 (0.84) P2RX7
SCHEMBL3472355 0.91 P2RX7 (0.84) P2RX7
SCHEMBL13433825 0.83 P2RX7 (0.70) P2RX7
SCHEMBL13433818 0.83 P2RX7 (0.70) P2RX7
SCHEMBL13433824 0.83 P2RX7 (0.70) P2RX7
SCHEMBL3475587 0.83 P2RX7 (0.70) P2RX7
SCHEMBL3475785 0.83 P2RX7 (0.69) P2RX7
SCHEMBL3475207 0.82 P2RX7 (1.00) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671053-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2010-03-02 US disclosed
US-20090042886-A1 Benzamide Inhibitors of the P2X7 Receptor PFIZER, INC. (US) 2009-02-12 US disclosed
US-7407956-B2 Benzamide inhibitors of the P2X7 receptor PFIZER, INC. (US) 2008-08-05 US disclosed
US-20070281939-A1 Benzamide Inhibitors of The P2X7 Receptor PFIZER INC. 2007-12-06 US disclosed
EP-1763353-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X<sb>7</sb> RECEPTOR Warner-Lambert Company LLC (US) 2007-03-21 EP disclosed
US-7176202-B2 Benzamide inhibitors of the P2X7 receptor PFIZER INC. (US) 2007-02-13 US disclosed
US-20060040939-A1 Benzamide inhibitors of the P2X, receptor DOMBROSKI MARK A 2006-02-23 US disclosed
US-20060018904-A1 Combination therapies utilizing benzamide inhibitors of the P2X7 receptor WARNER-LAMBERT COMPANY LLC 2006-01-26 US disclosed
WO-2006003517-A1 COMBINATION THERAPIES UTILIZING BENZAMIDE INHIBITORS OF THE P2X7 RECEPTOR WARNER-LAMBERT COMPANY LLC (US) 2006-01-12 WO disclosed
US-6974812-B2 Benzamide inhibitors of the P2X7 Ereceptor PFIZER INC. (US) 2005-12-13 US disclosed
EP-1581232-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES Pfizer Products Inc. (US) 2005-10-05 EP disclosed
US-20040180894-A1 such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) PFIZER INC. 2004-09-16 US disclosed
WO-2004058270-A1 3-(3,5-DIOXO-4,5-DIHYDRO-3H-(1,2,4)TRIAZIN-2-YL)-BENZAMIDE DERIVATIVES AS P2X7-INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES PFIZER PRODUCTS INC. (US) 2004-07-15 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 (5 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-20090042886-A1 Benzamide Inhibitors of the P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885HPGD 1218/4885TP53 1176/4885
US-20040180894-A1 such as 2-chloro-N-(1-hydroxy-cycloheptylmethyl)-5-[4-(2-hydroxy-3-methoxy-propyl)-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl]-benzamide; purinergic receptors (P2x7 E); for treatment of interleukin-1 associated disorders (rheumatoid arthritis) IL1R1, P2RY1, P2RX7 P2RX7 3/4885HPGD 360/4885TP53 2361/4885
US-20060018904-A1 Combination therapies utilizing benzamide inhibitors of the P2X7 receptor CSF3R, CSF1R, IL1R1 P2RX7 72/4885HPGD 3610/4885TP53 1406/4885
US-20070281939-A1 Benzamide Inhibitors of The P2X7 Receptor IL1R1, P2RY1, P2RX1 P2RX7 7/4885HPGD 1218/4885TP53 1176/4885
US-20060040939-A1 Benzamide inhibitors of the P2X, receptor IL1R1, P2RX1, P2RX3 P2RX7 7/4885HPGD 1013/4885TP53 998/4885

“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.