SCHEMBL5083071

SCHEMBL5083071

NC(=O)c1n[nH]c2c1CCC2

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.70
KMT2A Q03164 3/20 0.65
TSHR P16473 1/20 0.62
GAA P10253 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 11/20 0.51
RAB9A P51151 8/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
MAPT P10636 6/20 0.48
ALDH1A1 P00352 3/20 0.46
LMNA P02545 6/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
PLK1 P53350 1/20 0.44
PKM P14618 3/20 0.42
TP53 P04637 2/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.40

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
SCHEMBL25334427 0.96 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL22887837 0.94 TSHR (0.71) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL31539683 0.94 TSHR (0.71) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL1663622 0.82 HCAR2 (1.00) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL21764920 0.81 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL22518545 0.80 HCAR2 (0.64) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL30092755 0.80 HCAR2 (0.46) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL30824039 0.80 HCAR2 (0.49) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL5952125 0.78 HCAR2 (1.00) HCAR2KMT2ATSHRGAARXFP1
SCHEMBL14648769 0.77 HCAR2 (0.70) HCAR2KMT2ATSHRGAARXFP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853674-A Production method of medical intermediate 1,4,5, 6-tetrahydro-3-cyclopentapyrazole formonitrile 浙江安贝特药业有限公司 2022-08-05 CN claimed
CN-114853674-B Production method of medical intermediate 1,4,5, 6-tetrahydro-3-cyclopentapyrazole carbonitrile 浙江安贝特药业有限公司 2024-02-02 CN disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
CN-114853674-A Production method of medical intermediate 1,4,5, 6-tetrahydro-3-cyclopentapyrazole formonitrile 浙江安贝特药业有限公司 2022-08-05 CN 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-8637555-B2 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2014-01-28 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 US disclosed
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists ARENA PHARMACEUTICALS, INC. (US) 2008-06-12 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
WO-2006052569-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006026273-A2 METHOD OF TREATING ATHEROSCLEROSIS, DYSLIPIDEMIAS AND RELATED CONDITIONS MERCK & CO., INC. (US) 2006-03-09 WO disclosed
EP-1599469-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF Arena Pharmaceuticals, Inc. (US) 2005-11-30 EP disclosed
WO-2005044816-A1 TETRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-05-19 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 (3 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 HCAR2 223/4885KMT2A 4044/4885TSHR 1547/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 HCAR2 223/4885KMT2A 4044/4885TSHR 1547/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 HCAR2 11/4885KMT2A 1795/4885TSHR 107/4885

“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.