SCHEMBL16673137

SCHEMBL16673137

CCOC1(C)OCCN1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
MC4R P32245 1/20 0.37
GAA P10253 1/20 0.36
ELANE P08246 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 1/20 0.35
CTSG P08311 1/20 0.35
PRTN3 P24158 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL26469162 0.79 SIGMAR1 (0.44) SIGMAR1MC4RGAAELANELMNA
SCHEMBL4945693 0.72 ALDH1A1 (0.40) SIGMAR1DRD2DRD4DRD3KDM4E
SCHEMBL6132960 0.70 JAK2 (0.44) SIGMAR1MC4RGAAELANELMNA
SCHEMBL12626083 0.68 CYP3A4 (0.53) SIGMAR1POLBALDH1A1
SCHEMBL18096014 0.68 GAA (0.44) SIGMAR1MC4RGAAELANECTSG
SCHEMBL17700194 0.67 GAA (0.53) SIGMAR1MC4RGAAELANELMNA
SCHEMBL2073777 0.67 SIGMAR1 (0.50) SIGMAR1MC4RGAALMNAPOLB
SCHEMBL2147364 0.67 CYP3A4 (0.56) SIGMAR1DRD2DRD4DRD3MC4R
SCHEMBL6133048 0.67 MEN1 (0.39) SIGMAR1MC4RGAAPOLBKDM4E
SCHEMBL12625885 0.67 TSHR (0.51) SIGMAR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066070-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE-N, O-ACETALS OR ESTERIMIDES EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
EP-3066070-B1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE-N, O-ACETALS OR ESTERIMIDES EVONIK DEGUSSA GMBH (DE) 2019-07-17 EP disclosed
US-9890108-B2 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene N, O-acetals or ester imides EVONIK DEGUSSA GMBH (DE) 2018-02-13 US disclosed
US-9890108-B2 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene N, O-acetals or ester imides EVONIK DEGUSSA GMBH (DE) 2018-02-13 US disclosed
US-20160264513-A1 Catalytic Hydrogenation for the Preparation of Amines from Amide Acetals, Ketene N,O-Acetals or Ester Imides EVONIK DEGUSSA GMBH (DE) 2016-09-15 US disclosed
US-20160264513-A1 Catalytic Hydrogenation for the Preparation of Amines from Amide Acetals, Ketene N,O-Acetals or Ester Imides EVONIK DEGUSSA GMBH (DE) 2016-09-15 US disclosed
EP-3066070-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES Evonik Degussa GmbH (DE) 2016-09-14 EP disclosed
WO-2015067448-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
WO-2015067448-A1 CATALYTIC HYDROGENATION FOR THE PREPARATION OF AMINES FROM AMIDE ACETALS, KETENE N,O-ACETALS OR ESTER IMIDES EVONIK INDUSTRIES AG (DE) 2015-05-14 WO disclosed
EP-2868652-A1 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene-N, O-acetals or esterimides Evonik Industries AG (DE) 2015-05-06 EP disclosed
EP-2868652-A1 Catalytic hydrogenation for the preparation of amines from amide acetals, ketene-N, O-acetals or esterimides Evonik Industries AG (DE) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 US 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-20160264513-A1 Catalytic Hydrogenation for the Preparation of Amines from Amide Acetals, Ketene N,O-Acetals or Ester Imides H1-0, H1-2, H1-10 SIGMAR1 2144/4885DRD2 1868/4885DRD4 2344/4885
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B SIGMAR1 3944/4885DRD2 3047/4885DRD4 3642/4885

“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.