SCHEMBL3288734

SCHEMBL3288734

N#Cc1cccnc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
HDAC1 Q13547 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
ADORA1 P30542 2/20 0.44
ADORA2A P29274 1/20 0.44
LRRK2 Q5S007 5/20 0.42
CDC7 O00311 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
HTT P42858 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
KCNH2 Q12809 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL29768457 0.86 HDAC1 (0.51) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL1146096 0.86 HDAC1 (0.51) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL5826057 0.85 HDAC1 (0.50) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL31267979 0.83 CNR2 (0.49) CNR2HDAC1TRPV1LRRK2HTT
SCHEMBL17116613 0.83 CNR2 (0.51) CNR2HDAC1TRPV1LRRK2HTT
SCHEMBL18421482 0.83 CNR2 (0.48) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL24185307 0.81 CNR2 (0.50) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL7675508 0.81 TRPV1 (0.50) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL2471399 0.81 ESR2 (0.53) CNR2HDAC1TRPV1ADORA1ADORA2A
SCHEMBL21283226 0.81 CNR2 (0.50) CNR2HDAC1TRPV1ADORA1ADORA2A

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 CNR2 97/4885HDAC1 3816/4885TRPV1 80/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 CNR2 97/4885HDAC1 3816/4885TRPV1 80/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 CNR2 97/4885HDAC1 3816/4885TRPV1 80/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 CNR2 112/4885HDAC1 3875/4885TRPV1 74/4885

“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.