SCHEMBL3287339

SCHEMBL3287339

N#Cc1cccnc1OCC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.46
HCRTR2 O43614 3/20 0.40
MBOAT4 Q96T53 2/20 0.40
HCRTR1 O43613 2/20 0.40
SCN9A Q15858 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNA1I Q9P0X4 1/20 0.39
ELANE P08246 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
P2RX7 Q99572 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 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
SCHEMBL29552777 1.00 SSTR4 (0.46) SSTR4HCRTR2MBOAT4HCRTR1SCN9A
SCHEMBL24599907 0.83 SSTR4 (0.42) SSTR4HCRTR2HCRTR1ELANECYP1A2
SCHEMBL4948421 0.81 LRRK2 (0.39) SSTR4ELANECYP1A2CYP3A4CYP2D6
SCHEMBL3660182 0.77 NPC1 (0.41) SSTR4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL249966 0.77 L3MBTL1 (0.49) SSTR4HCRTR2HCRTR1CYP1A2CYP3A4
SCHEMBL31528291 0.77 SSTR4 (0.49) SSTR4HCRTR2CYP1A2CYP3A4CYP2D6
SCHEMBL18726968 0.77 SCN9A (0.43) SSTR4HCRTR2HCRTR1SCN9ACACNA1G
SCHEMBL29744920 0.77 MBOAT4 (0.40) SSTR4HCRTR2MBOAT4HCRTR1CYP1A2
SCHEMBL21748902 0.76 SSTR4 (0.59) SSTR4HCRTR2CYP2C9
SCHEMBL31143575 0.75 RXRA (0.44) SSTR4HCRTR2HCRTR1SCN9AGPBAR1

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-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
US-20060052374-A1 Amino-tetrazole analogues and methods of use ABBVIE INC. 2006-03-09 US 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 SSTR4 777/4885HCRTR2 349/4885MBOAT4 3970/4885
US-20120329772-A1 AMINO-TETRAZOLES ANALOGUES AND METHODS OF USE P2RX7, P2RX2, P2RX5 SSTR4 777/4885HCRTR2 349/4885MBOAT4 3970/4885
US-20070049584-A1 Amino-tetrazoles analogues and methods of use P2RX7, P2RX2, P2RX5 SSTR4 777/4885HCRTR2 349/4885MBOAT4 3970/4885
US-20060052374-A1 Amino-tetrazole analogues and methods of use P2RX7, P2RX2, P2RX3 SSTR4 869/4885HCRTR2 344/4885MBOAT4 3948/4885

“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.