SCHEMBL2653935

SCHEMBL2653935

CCCCOC(=O)c1ccc2c(c1)CCC2=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
ESR1 P03372 8/20 0.52
LMNA P02545 3/20 0.52
CYP1A2 P05177 2/20 0.52
TSHR P16473 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
MAPK1 P28482 1/20 0.52
NR1H2 P55055 1/20 0.52
RNASEL Q05823 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGD P15428 1/20 0.47
RECQL P46063 1/20 0.47
SRD5A1 P18405 1/20 0.47
STS P08842 1/20 0.46

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
SCHEMBL38659727 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL4179934 0.86 SRD5A1 (0.55) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL33098 0.85 MAOB (0.43) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL3029410 0.79 PRF1 (0.56) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL11838162 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL11852789 0.79 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL17332073 0.78 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AESR1LMNA
SCHEMBL31532073 0.78 SRD5A1 (0.51) ALDH1A1KMT2ASMN1; SMN2HPGDSRD5A1
SCHEMBL883773 0.78 SRD5A1 (0.51) ALDH1A1KMT2ASMN1; SMN2HPGDSRD5A1
SCHEMBL552474 0.78 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AESR1MAPK1

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-7803951-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2010-09-28 US disclosed
EP-1626717-A4 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2009-09-09 EP disclosed
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
US-20090054506-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2009-02-26 US disclosed
EP-1868985-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-12-26 EP disclosed
US-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents MERCK SHARP & DOHME LLC 2007-04-26 US disclosed
WO-2006104826-A2 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-10-05 WO disclosed
EP-1626717-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2006-02-22 EP disclosed
WO-2004100875-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-11-25 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 (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-20070093544-A1 1-((4-Tert-butylcyclohexyl)(1-methyl-5-propoxy-1H-benzimidazol-2-yl-amino-)-N-1H-tetrazole-5-yl-indane-5-carboxamide; glucagon receptor antagonists; antidiabetic agents; type 2 diabetes mellitus; insulin resistance; gluconeogenesis inhibitors; lowering rate of hepatic glucose output; hypoglycemic agents GPR119, GLP1R, INSR ALDH1A1 2026/4885MEN1 4418/4885KMT2A 2904/4885
US-20090054506-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 ALDH1A1 4286/4885MEN1 2045/4885KMT2A 3530/4885

“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.