SCHEMBL1412906

SCHEMBL1412906

Cc1n[nH]c(=O)n1-c1cnc(Cl)c(C(=O)NCC2(c3ccc(C(F)(F)F)cc3)OCCCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
P2RX7 Q99572 10/20 0.37
RIPK1 Q13546 2/20 0.35
IL1B P01584 1/20 0.34
SLC6A9 P48067 2/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
PDE2A O00408 2/20 0.33
KCNH2 Q12809 1/20 0.33
FASN P49327 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
SCHEMBL1412858 0.89 CYP1A2 (0.43) CYP1A2P2RX7IL1B
SCHEMBL1412841 0.86 P2RX7 (0.38) CYP1A2P2RX7IL1BSLC6A9PDE2A
SCHEMBL1412986 0.80 P2RX7 (0.37) P2RX7
SCHEMBL1413090 0.76 P2RX7 (0.35) P2RX7SLC6A9
SCHEMBL1412960 0.76 P2RX7 (0.50) P2RX7
SCHEMBL1412914 0.70 P2RX7 (0.36) P2RX7SLC6A9
SCHEMBL1413002 0.68 P2RX7 (0.47) CYP1A2P2RX7
SCHEMBL1412895 0.67 P2RX7 (0.39) P2RX7
SCHEMBL1412873 0.66 P2RX7 (0.45) P2RX7ELOVL6
SCHEMBL1412859 0.66 P2RX7 (0.34) P2RX7RIPK1

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 CYP1A2 681/4885P2RX7 1/4885RIPK1 2587/4885
US-20060058302-A1 Benzamide, heteroarylamide and reverse amides P2RX7, P2RX5, P2RX2 CYP1A2 938/4885P2RX7 1/4885RIPK1 1211/4885

“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.