SCHEMBL5527466

SCHEMBL5527466

CC(C)(C)OC(=O)c1nn(Cc2ccccc2)c2c1CC(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC16A3 O15427 2/20 0.38
AADAT Q8N5Z0 2/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL5529498 0.83 HPGD (0.46) ALDH1A1HTR2CGRNSORT1POLB
SCHEMBL5525083 0.81 MGLL (0.39) ALDH1A1HTR2CCYP1A2SMN1; SMN2MAPK1
SCHEMBL5525718 0.81 CCNA2 (0.42) ALDH1A1HTR2CPOLBCYP1A2SMN1; SMN2
SCHEMBL13935668 0.76 CYP19A1 (0.50) ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL5531336 0.69 TSHR (0.40) ALDH1A1HTR2CPOLBAADATKMT2A
SCHEMBL10479516 0.68 CYP19A1 (0.53) ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL182381 0.68 CYP19A1 (0.53) ALDH1A1POLBSMN1; SMN2MAPK1
SCHEMBL19358417 0.67 HDAC1 (0.43) HTR2CSLC6A4GRNSORT1POLB
SCHEMBL19358458 0.67 OPRD1 (0.44) HTR2CSLC6A4GRNSORT1POLB
SCHEMBL19358464 0.67 KCNK3 (0.51) SLC16A3KMT2AMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2006-09-28 US disclosed
EP-1683794-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof Arena Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
EP-1599469-B1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARM INC (US) 2006-06-07 EP 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 (2 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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 ALDH1A1 681/4885CRHBP 3154/4885CRHR2 734/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 ALDH1A1 681/4885CRHBP 3154/4885CRHR2 734/4885

“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.