SCHEMBL4758601

SCHEMBL4758601

CC1CCc2cc(Br)ccc2C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 10/20 0.51
ADRA2A P08913 4/20 0.51
ADRA2B P18089 3/20 0.51
ADRA2C P18825 3/20 0.51
ASIC3 Q9UHC3 1/20 0.43
FAAH O00519 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
SRD5A1 P18405 1/20 0.41
CYP11B2 P19099 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 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
SCHEMBL9071241 1.00 PNMT (0.51) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL31067718 0.92 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL16233587 0.92 PNMT (0.47) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL10683761 0.89 PNMT (0.49) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL11142313 0.86 CYP1A2 (0.42) PNMTADRA2AADRA2BADRA2CFAAH
SCHEMBL6839690 0.84 PNMT (0.58) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL13631383 0.84 PNMT (0.58) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL79036 0.78 ALDH1A1 (0.42) HTR2AHTR2CHTR2BSRD5A1OPRK1
SCHEMBL4529303 0.78 CYP11B2 (0.54) PNMTADRA2AADRA2BADRA2CASIC3
SCHEMBL24540244 0.77 OPRK1 (0.62) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2011-09-15 US disclosed
US-7902191-B2 Histamine H3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
US-7563815-B2 Benzamidazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-07-21 US disclosed
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY 2007-07-05 US 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
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-2004100875-A2 BENZIMIDAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2004-11-25 WO disclosed
US-4738972-A Hypoglycemic thiazolidinediones PFIZER INC. (US) 1988-04-19 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-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 PNMT 1520/4885ADRA2A 540/4885ADRA2B 721/4885
US-20070155754-A1 Histamine h3 receptor antagonists, preparation and therapeutic uses HRH3, HRH4, HRH2 PNMT 264/4885ADRA2A 195/4885ADRA2B 240/4885
US-20120114601-A1 NEW ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, RECQL, IRF3 PNMT 4364/4885ADRA2A 3105/4885ADRA2B 3581/4885
US-20110223132-A1 ISOTHIAZOLOQUINOLONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS TOP1, IRF3, RECQL PNMT 4214/4885ADRA2A 3298/4885ADRA2B 3793/4885

“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.