SCHEMBL3288797

SCHEMBL3288797

N#Cc1cccnc1-c1cc(F)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 7/20 0.47
GABRB3 P28472 7/20 0.47
GABRA5 P31644 7/20 0.47
GABRA3 P34903 7/20 0.47
GABRA1 P14867 6/20 0.47
GABRA2 P47869 1/20 0.47
CYP11B2 P19099 1/20 0.40
CNR2 P34972 1/20 0.40
SQOR Q9Y6N5 1/20 0.38
PDE4B Q07343 1/20 0.37
GRM4 Q14833 1/20 0.37
USP8 P40818 1/20 0.37
USP7 Q93009 1/20 0.37
USP47 Q96K76 1/20 0.37
TGFBR1 P36897 3/20 0.37
HDAC1 Q13547 1/20 0.36

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 0.88 ADORA1 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2650903 0.85 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649411 0.85 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3296198 0.82 CHUK (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2649508 0.81 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3287557 0.81 SCN9A (0.46) SQORPDE4B
SCHEMBL2649739 0.79 MAPT (0.50) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3287308 0.79 UGCG (0.46) SQORPDE4B
SCHEMBL2652445 0.78 CYP11B2 (0.40) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL3290564 0.78 CYP11B2 (0.39) GABRG2GABRB3GABRA5GABRA3GABRA1

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 10 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-8217067-B2 Antiinflammatory agents, antidepressants, analgesics, purinergic receptor antagonists; neurodegenerative diseases, spinal cord injuries; 1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine ABBOTT LABORATORIES (US) 2012-07-10 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
US-20070049584-A1 Amino-tetrazoles analogues and methods of use ABBVIE INC. 2007-03-01 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 (4 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 GABRG2 419/4885GABRB3 100/4885GABRA5 135/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 GABRG2 419/4885GABRB3 100/4885GABRA5 135/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 GABRG2 419/4885GABRB3 100/4885GABRA5 135/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 GABRG2 410/4885GABRB3 89/4885GABRA5 122/4885

“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.