SCHEMBL3465632

SCHEMBL3465632

c1ccc(CCCC[N]c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.55
HTR3A P46098 1/20 0.53
NAAA Q02083 3/20 0.53
MAOA P21397 1/20 0.50
MAOB P27338 2/20 0.48
SIGMAR1 Q99720 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL3466518 0.93 HTR3A (0.61) MIFHTR3ANAAAMAOAMAOB
SCHEMBL3466033 0.84 HIF1A (0.50) MIFHTR3AMAOAMAOB
SCHEMBL9819844 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL9819842 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL9819828 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL9819781 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL9819790 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL9819738 0.79 NAAA (0.64) MIFHTR3ANAAAMAOAMAOB
SCHEMBL451456 0.78 MAOA (0.74) MAOAMAOBSIGMAR1L3MBTL1
SCHEMBL8892950 0.77 NAAA (0.62) MIFHTR3ANAAAMAOAMAOB

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 8 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
EP-1711456-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2006-10-18 EP disclosed
WO-2005070870-A2 AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2005-08-04 WO disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 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

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 MIF 3323/4885HTR3A 2431/4885NAAA 2432/4885
US-20070021400-A1 Amino alcohols as therapeutic compounds CTSL, CTSD, CTSS MIF 4454/4885HTR3A 2666/4885NAAA 1925/4885

“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.