SCHEMBL5079503

SCHEMBL5079503

NC(=O)c1nn(Cc2ccccc2)c2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCNA1 P78396 1/20 0.47
FABP4 P15090 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HPGD P15428 1/20 0.42
SLC2A1 P11166 1/20 0.42
FABP3 P05413 1/20 0.41
KCNK3 O14649 3/20 0.41
HTR7 P34969 2/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 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
SCHEMBL182893 0.86 FABP4 (0.49) FABP4MEN1KMT2ALMNATSHR
SCHEMBL300478 0.85 FABP4 (0.50) FABP4MEN1KMT2ATSHRPOLB
SCHEMBL10216949 0.85 MEN1 (0.48) FABP4MEN1KMT2ALMNATSHR
SCHEMBL31706984 0.82 HTR7 (0.58) CCNA2CDK2CCNA1KCNK3HTR7
SCHEMBL10479516 0.81 CYP19A1 (0.53) LMNASMN1; SMN2POLBHPGDALDH1A1
SCHEMBL5525718 0.80 CCNA2 (0.42) CCNA2CDK2CCNA1MEN1KMT2A
SCHEMBL2715130 0.80 MEN1 (0.45) FABP4MEN1KMT2ALMNATSHR
SCHEMBL5082546 0.80 MEN1 (0.45) CCNA2CDK2CCNA1FABP4MEN1
SCHEMBL10216684 0.79 CNR1 (0.48) HTTSIGMAR1
SCHEMBL182381 0.79 CYP19A1 (0.53) LMNASMN1; SMN2POLBHPGDALDH1A1

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 20 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-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-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions MERCK & CO., INC. 2007-10-18 US disclosed
EP-1811996-A1 COMPOSITIONS FOR TREATING FLUSHING AND LIPID-ASSOCIATED DISORDERS COMPRISING NIACIN RECEPTOR PARTIAL AGONISTS Arena Pharmaceuticals, Inc. (US) 2007-08-01 EP 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 (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-20070072924-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 CCNA2 4560/4885CDK2 3369/4885CCNA1 4720/4885
US-20060217562-A1 Tetrazole derivatives and methods of treatment of metabolic-related disorders thereof SQLE, ACE, AGTR2 CCNA2 4560/4885CDK2 3369/4885CCNA1 4720/4885
US-20080139628-A1 Compositions For Treating Flushing And Lipid-Associated Disorders Comprising Niacin Receptor Partial Agonists FFAR1, FFAR2, FFAR3 CCNA2 3829/4885CDK2 3603/4885CCNA1 3754/4885
US-20070244107-A1 Method of Treating Atherosclerosis, Dyslipidemias and Related Conditions LDLR, LIPA, APOB CCNA2 3854/4885CDK2 2741/4885CCNA1 3334/4885

“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.