SCHEMBL1199963

SCHEMBL1199963

CCCCCC(N)(O)CC

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 11/20 0.46
SMPD1 P17405 4/20 0.45
GGPS1 O95749 6/20 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
SCHEMBL20198537 0.97 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL12135459 0.97 FDPS (0.48) FDPSSMPD1GGPS1
Ammonia Solution, Strong SCHEMBL28504683 0.95 FDPS (0.47) FDPSSMPD1GGPS1
SCHEMBL6151052 0.92
SCHEMBL5391830 0.86 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL1271337 0.86 FDPS (0.52) FDPSSMPD1GGPS1
SCHEMBL999922 0.86 FDPS (0.48) FDPSSMPD1GGPS1
SCHEMBL18808043 0.86 FDPS (0.32) FDPSSMPD1
SCHEMBL7011302 0.84 FDPS (0.46) FDPSSMPD1GGPS1
Methacrylic Acid SCHEMBL28659543 0.82 FDPS (0.39) FDPSSMPD1GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102321066-B Method for producing aryl-aminopropanols SALTIGO GMBH 2014-07-23 CN disclosed
CN-102321066-B Method for producing aryl-aminopropanols SALTIGO GMBH 2014-07-23 CN disclosed
US-7893281-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2011-02-22 US disclosed
US-7893281-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2011-02-22 US disclosed
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS LANXESS DEUTSCHLAND GMBH (DE) 2009-11-19 US disclosed
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS LANXESS DEUTSCHLAND GMBH (DE) 2009-11-19 US disclosed
US-7582776-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
US-7582776-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2009-09-01 US disclosed
EP-1346977-B1 Method for producing aryl-aminopropanols SALTIGO GMBH (DE) 2009-07-22 EP disclosed
EP-2060559-A1 Process for the preparation of enantiomerically pure 3-hydroxy-3-arylpropylamines and their optical stereoisomers Cadila Pharmaceuticals Limited (IN) 2009-05-20 EP disclosed
US-20080262247-A1 Process for preparing arylaminopropanols ECKERT MARKUS 2008-10-23 US disclosed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 US disclosed
US-7169938-B2 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2007-01-30 US disclosed
US-20040116709-A1 Process for producing optically active n-aryl-1-amino-2-propanol derivatives KANEKA CORPORATION (JP) 2004-06-17 US disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
US-20030225153-A1 Process for preparing arylaminopropanols LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1367053-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE N-ARYL-1-AMINO-2-PROPANOL DERIVATIVES KANEKA CORPORATION (JP) 2003-12-03 EP disclosed
EP-1346977-A1 Method for producing aryl-aminopropanols Bayer Aktiengesellschaft (DE) 2003-09-24 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 (3 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-20030225153-A1 Process for preparing arylaminopropanols AHR, CYP1A1, CYP1A2 FDPS 175/4885SMPD1 4053/4885GGPS1 291/4885
US-20090286997-A1 PROCESS FOR PREPARING ARYLAMINOPROPANOLS AHR, CYP1A1, CYP1A2 FDPS 175/4885SMPD1 4053/4885GGPS1 291/4885
US-20080262247-A1 Process for preparing arylaminopropanols CYP1A1, CYP1A2, AHR FDPS 103/4885SMPD1 3781/4885GGPS1 193/4885

“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.