SCHEMBL1412973

SCHEMBL1412973

O=C(NCC(c1ccccc1)c1ccccc1)c1cc(-n2ncc(=O)[nH]c2=O)cnc1Cl

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.56
ABCB11 O95342 1/20 0.52
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 1/20 0.40
F9 P00740 2/20 0.39
DUT P33316 1/20 0.39

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
SCHEMBL1412836 0.87 P2RX7 (0.74) P2RX7ABCB11F9
SCHEMBL1412992 0.82 P2RX7 (0.54) P2RX7ABCB11F9
SCHEMBL1412952 0.81 P2RX7 (0.79) P2RX7ABCB11
SCHEMBL5390136 0.80 P2RX7 (0.50) P2RX7ABCB11KMT2A
SCHEMBL1412907 0.80 P2RX7 (0.71) P2RX7ABCB11KMT2AF9
SCHEMBL1413047 0.79 P2RX7 (0.66) P2RX7ABCB11KMT2A
SCHEMBL1412966 0.79 P2RX7 (0.59) P2RX7ABCB11KMT2A
SCHEMBL1412916 0.79 P2RX7 (0.73) P2RX7ABCB11
SCHEMBL1412917 0.78 P2RX7 (0.62) P2RX7ABCB11KMT2A
SCHEMBL1413004 0.77 P2RX7 (0.63) P2RX7ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448535-B1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2011-03-16 EP disclosed
US-7235549-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-06-26 US disclosed
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2006-03-16 US disclosed
CN-1585755-A Benzamide and heteroarylamide as P2X7 receptor antagonists PFIZER PROD INC (US) 2005-02-23 CN disclosed
EP-1448535-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2004-08-25 EP disclosed
US-20030186981-A1 Benzamide, heteroarylamide and reverse amides PFIZER INC. 2003-10-02 US disclosed
WO-2003042191-A1 BENZAMIDE AND HETEROARYLAMIDE AS P2X7 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2003-05-22 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-20030186981-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 866/4885OPRM1 1541/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885ABCB11 443/4885OPRM1 1828/4885

“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.