SCHEMBL3290564

SCHEMBL3290564

N#Cc1cccnc1-c1c(F)cc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.39
CNR2 P34972 1/20 0.39
HDAC1 Q13547 1/20 0.38
GABRA1 P14867 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 1/20 0.36
GRM4 Q14833 1/20 0.36
LRRK2 Q5S007 1/20 0.36
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3291131 0.81 ADORA1 (0.46) CYP11B2CNR2GABRA1GABRG2GABRB3
SCHEMBL31267979 0.78 CNR2 (0.49) CYP11B2CNR2HDAC1LRRK2KCNH2
SCHEMBL3288797 0.78 GABRG2 (0.47) CYP11B2CNR2HDAC1GABRA1GABRG2
SCHEMBL21283226 0.76 CNR2 (0.50) CYP11B2CNR2HDAC1MEN1KMT2A
SCHEMBL3290050 0.75 ADORA2B (0.48) CYP11B2CNR2HDAC1GABRG2GABRB3
SCHEMBL2668166 0.75 CNR2 (0.47) CYP11B2CNR2HDAC1GABRA1GABRG2
SCHEMBL3295664 0.75 CNR2 (0.47) CYP11B2CNR2HDAC1GABRA1GABRG2
SCHEMBL3296198 0.75 CHUK (0.45) CYP11B2CNR2HDAC1GABRA1GABRG2
SCHEMBL6714817 0.72 DRD2 (0.41) CYP11B2CNR2HDAC1LRRK2ALDH1A1
SCHEMBL3292813 0.72 BCAT1 (0.50) CYP11B2CNR2HDAC1GABRA1GABRG2

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
US-8546374-B2 Amino-tetrazoles analogues and methods of use ABBVIE INC. (US) 2013-10-01 US disclosed
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2012-12-27 US disclosed
US-7723367-B2 Amino-tetrazoles analogues and methods of use ABBOTT LABORATORIES (US) 2010-05-25 US disclosed
US-7704997-B1 Amino-tetrazole analogues and methods of use ABBOTT LABORATORIES (US) 2010-04-27 US disclosed
US-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use ABBOTT LABORATORIES (US) 2008-07-17 US disclosed
EP-1747206-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2007-01-31 EP disclosed
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US disclosed
WO-2005111003-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-11-24 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 (3 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-20080171733-A1 Amino-Tetrazoles Analogues and Methods of Use P2RX7, P2RX2, P2RX5 CYP11B2 678/4885CNR2 97/4885HDAC1 3816/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CYP11B2 678/4885CNR2 97/4885HDAC1 3816/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CYP11B2 704/4885CNR2 112/4885HDAC1 3875/4885

“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.