SCHEMBL1412873

SCHEMBL1412873

Cc1ccc(-n2cn[nH]c2=O)cc1C(=O)NCC1(c2ccc(F)cc2)OCCCO1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 10/20 0.45
HTT P42858 1/20 0.32
ELOVL6 Q9H5J4 4/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR7 P34969 1/20 0.32
PARP1 P09874 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL1413022 0.90 P2RX7 (0.45) P2RX7
SCHEMBL1412914 0.88 P2RX7 (0.36) P2RX7
SCHEMBL1412868 0.86 P2RX7 (0.38) P2RX7
SCHEMBL1413090 0.85 P2RX7 (0.35) P2RX7
SCHEMBL1412931 0.80 P2RX7 (0.36) P2RX7
SCHEMBL1412839 0.70 P2RX7 (0.40) P2RX7ELOVL6
SCHEMBL1412906 0.66 CYP1A2 (0.40) P2RX7ELOVL6
SCHEMBL1412869 0.66 P2RX7 (0.41) P2RX7
SCHEMBL6290777 0.63 P2RX7 (0.72) P2RX7
SCHEMBL1412986 0.63 P2RX7 (0.37) 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 8 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-7214677-B2 Benzamide, heteroarylamide and reverse amides PFIZER INC. (US) 2007-05-08 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 1/4885HTT 2846/4885ELOVL6 4319/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 P2RX7 1/4885HTT 1935/4885ELOVL6 4650/4885

“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.