SCHEMBL3266080

SCHEMBL3266080

CCCCCC(C)(O)CCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 5/20 0.46
FDPS P14324 10/20 0.38
GGPS1 O95749 7/20 0.38
AGTR1 P30556 1/20 0.38
OPRM1 P35372 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL808750 0.83 FDPS (0.48) FDPSGGPS1
SCHEMBL11572196 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL2346921 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL9374930 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL2669436 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL5176670 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL7050980 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL8528159 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL4952756 0.81 FDPS (0.50) FDPSGGPS1
SCHEMBL5672619 0.81 FDPS (0.50) FDPSGGPS1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636169-B1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS GRUENENTHAL GMBH (DE) 2010-06-02 EP claimed
EP-2792668-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-05-31 EP disclosed
EP-2666765-B1 Process for the preparation of substituted 3-(1-amino-2-methyl-pentane-3-yl)phenyl compounds GRUENENTHAL GMBH (DE) 2017-01-04 EP disclosed
US-8791300-B2 Process for preparing a substituted dimethyl-(3-arylbutyl)amine compound by homogeneous catalysis GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8704002-B2 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis Grünenthal GmbH (DE) 2014-04-22 US disclosed
US-8704002-B2 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis Grünenthal GmbH (DE) 2014-04-22 US disclosed
US-8704002-B2 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)-amine compounds by heterogeneous catalysis Grünenthal GmbH (DE) 2014-04-22 US disclosed
US-20130060065-A1 Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis GRUENENTHAL GMBH (DE) 2013-03-07 US disclosed
US-20130060065-A1 Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis GRUENENTHAL GMBH (DE) 2013-03-07 US disclosed
US-20130060065-A1 Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis GRUENENTHAL GMBH (DE) 2013-03-07 US disclosed
WO-2007051576-A1 PROCESS FOR PREPARING SUBSTITUTED DIMETHYL(3-ARYLBUTYL)AMINE COMPOUNDS BY MEANS OF HOMOGENEOUS CATALYSIS Grünenthal GmbH (DE) 2007-05-10 WO disclosed
US-20060167318-A1 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis GRUENENTHAL GMBH (DE) 2006-07-27 US disclosed
US-20060167318-A1 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis GRUENENTHAL GMBH (DE) 2006-07-27 US disclosed
US-20060167318-A1 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis GRUENENTHAL GMBH (DE) 2006-07-27 US disclosed
CN-1809527-A Method for dehydrating substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and method for preparing substituted dimethyl- (3-aryl-butyl) -amine compounds by heterogeneous catalysis GRUENENTHAL GMBH (DE) 2006-07-26 CN disclosed
CN-1809527-A Method for dehydrating substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and method for preparing substituted dimethyl- (3-aryl-butyl) -amine compounds by heterogeneous catalysis GRUENENTHAL GMBH (DE) 2006-07-26 CN disclosed
EP-1636169-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2006-03-22 EP disclosed
EP-1636169-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2006-03-22 EP disclosed
WO-2005000788-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2005-01-06 WO disclosed
WO-2005000788-A1 METHOD FOR DEHYDRATING SUBSTITUTED 4-DIMETHYLAMINO-2-ARYL-BUTAN-2-OL COMPOUNDS AND METHOD FOR PRODUCING SUBSTITUTED DIMETHYL-(3-ARYL-BUTYL)-AMINE COMPOUNDS BY MEANS OF HETEROGENEOUS CATALYSIS Grünenthal GmbH (DE) 2005-01-06 WO 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-20060167318-A1 Process for the dehydration of substituted 4-dimethylamino-2-aryl-butan-2-ol compounds and process for the preparation of substituted dimethyl-(3-aryl-butyl)- amine compounds by heterogeneous catalysis BRD2, BBOX1, BRD1 DNM1 2950/4885FDPS 2232/4885GGPS1 3431/4885
US-20130060065-A1 Process for the Dehydration of Substituted 4-Dimethylamino-2-aryl-butan-2-ol Compounds and Process for the Preparation of Substituted Dimethyl-(3-aryl-butyl)- Amine Compounds by Heterogeneous Catalysis BRD2, BBOX1, BRD1 DNM1 2950/4885FDPS 2232/4885GGPS1 3431/4885

“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.