SCHEMBL3287973

SCHEMBL3287973

Fc1cc(Br)c(OC(F)(F)F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
PDE2A O00408 1/20 0.34
GPR3 P46089 1/20 0.33
AKR1B1 P15121 1/20 0.33
EPAS1 Q99814 3/20 0.32
TRPA1 O75762 1/20 0.31
SCD O00767 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
SCHEMBL29453105 0.84 EPHX2 (0.40) EPHX2PDE2AAKR1B1EPAS1
SCHEMBL22206764 0.84 EPHX2 (0.40) EPHX2PDE2AAKR1B1EPAS1
SCHEMBL29237824 0.84 EPHX2 (0.37) EPHX2PDE2AAKR1B1
SCHEMBL2681143 0.84 PDE2A (0.34) EPHX2PDE2A
SCHEMBL22035479 0.80 AKR1B1 (0.32) AKR1B1SCD
SCHEMBL22092975 0.77 DGAT1 (0.45) EPHX2PDE2A
SCHEMBL31145488 0.77 DGAT1 (0.45) EPHX2PDE2A
SCHEMBL16097407 0.76 L3MBTL1 (0.39) PDE2A
SCHEMBL21729544 0.75 PDE2A (0.37) EPHX2PDE2A
SCHEMBL19643157 0.75 L3MBTL1 (0.39) EPHX2PDE2AAKR1B1

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 15 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-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers MERCK SHARP & DOHME CORP. 2008-11-13 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
EP-1732564-A1 BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS Merck & Co., Inc. (US) 2006-12-20 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
WO-2005097136-A1 BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2005-10-20 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 (5 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 EPHX2 1385/4885PDE2A 1960/4885GPR3 173/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 EPHX2 1385/4885PDE2A 1960/4885GPR3 173/4885
US-20080280873-A1 Biaryl Substituted Pyrazinones as Sodium Channel Blockers TRPV1, TRPA1, TRPV5 EPHX2 3038/4885PDE2A 1128/4885GPR3 371/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 EPHX2 1385/4885PDE2A 1960/4885GPR3 173/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 EPHX2 1355/4885PDE2A 2059/4885GPR3 195/4885

“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.