SCHEMBL3466033

SCHEMBL3466033

c1ccc(CC[N]c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.50
MIF P14174 3/20 0.50
CYP2A6 P11509 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
TRPA1 O75762 1/20 0.50
CYP2E1 P05181 1/20 0.50
CYP2A13 Q16696 1/20 0.50
EPAS1 Q99814 1/20 0.50
LMNA P02545 2/20 0.48
TSHR P16473 2/20 0.48
SLC22A2 O15244 1/20 0.48
SLC22A1 O15245 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
ADRA2B P18089 1/20 0.48
SLC6A2 P23975 1/20 0.48
ADRA1A P35348 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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 0.86 HTR3A (0.61) MIFGRIN1GRIN2BHTR3AHTR2A
SCHEMBL3465632 0.84 MIF (0.55) MIFHTR3AMAOAMAOB
SCHEMBL8029164 0.81 ALDH1A1 (0.50) MIFGRIN1GRIN2BLMNATSHR
SCHEMBL721250 0.76 HIF1A (0.56) HIF1AMIFCYP2A6GRIN1GRIN2B
SCHEMBL6335562 0.76 HIF1A (0.56) HIF1AMIFCYP2A6GRIN1GRIN2B
SCHEMBL253886 0.74 ALDH1A1 (0.46) MIFGRIN1GRIN2BTRPA1TSHR
SCHEMBL15999404 0.72 HIF1A (0.52) HIF1AMIFCYP2A6GRIN1GRIN2B
SCHEMBL95534 0.72 ALDH1A1 (0.41) MIFLMNATSHRSLC22A2SLC22A1
SCHEMBL1630522 0.72 MIF (0.58) HIF1AMIFCYP2A6GRIN1GRIN2B
SCHEMBL5370459 0.72 TDP1 (0.52) HIF1AMIFCYP2A6GRIN1GRIN2B

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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP claimed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO claimed
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
EP-1294695-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-03-26 EP disclosed
WO-2001085694-A2 SUBSTITUTED DIAMIDE DERIVATIVES USEFUL AS MOTILIN ANTAGONISTS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-15 WO disclosed
US-6005112-A REACTING SUBSTITUTED OR UNSUBSTITUTED PYRIDINE METAL COMPOUND WITH SUBSTITUTED ISOCYANATE OR ISOTHIOCYANATE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-12-21 US disclosed
EP-0881217-A1 PROCESS FOR PRODUCING PYRIDINECARBOXAMIDES OR THIOCARBOXAMIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1998-12-02 EP disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN 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 HIF1A 3827/4885MIF 3323/4885CYP2A6 454/4885
US-20070021400-A1 Amino alcohols as therapeutic compounds CTSL, CTSD, CTSS HIF1A 3976/4885MIF 4454/4885CYP2A6 1813/4885

“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.