SCHEMBL3466518

SCHEMBL3466518

c1ccc(CCC[N]c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.61
MIF P14174 3/20 0.53
SIGMAR1 Q99720 3/20 0.46
MAOA P21397 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
NAAA Q02083 3/20 0.46
MAOB P27338 2/20 0.45
HTR2A P28223 1/20 0.45
IDO1 P14902 1/20 0.43

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
SCHEMBL3465632 0.93 MIF (0.55) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL3466033 0.86 HIF1A (0.50) HTR3AMIFMAOAGRIN1GRIN2B
SCHEMBL6005169 0.78 HTR3A (0.61) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL8029164 0.77 ALDH1A1 (0.50) HTR3AMIFGRIN1GRIN2B
SCHEMBL5840017 0.76 HTR3A (1.00) HTR3AMIFMAOAGRIN1GRIN2B
SCHEMBL3465495 0.74 HTR3A (0.57) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL919176 0.74 HTR3A (0.57) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL9819893 0.74 NAAA (0.62) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL8897206 0.74 HTR3A (0.57) HTR3AMIFSIGMAR1MAOANAAA
SCHEMBL8892950 0.74 NAAA (0.62) HTR3AMIFSIGMAR1MAOANAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767690-B2 Amino alcohol derivatives and their use as renin inhibitor NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20070021400-A1 Amino alcohols as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-01-25 US disclosed
EP-1745776-A1 Aminoalcohols as therapeutic compounds Speedel Experimenta AG (CH) 2007-01-24 EP disclosed
US-6117893-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 2000-09-12 US disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 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-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A HTR3A 2431/4885MIF 3323/4885SIGMAR1 481/4885
US-20070021400-A1 Amino alcohols as therapeutic compounds CTSL, CTSD, CTSS HTR3A 2666/4885MIF 4454/4885SIGMAR1 651/4885

“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.