SCHEMBL4407732

SCHEMBL4407732

CC(=O)OC(c1ccccc1)C(C)N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ADRA2A P08913 1/20 0.47
ADRA2C P18825 1/20 0.47
LMNA P02545 1/20 0.47
HIF1A Q16665 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP19A1 P11511 5/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL6250864 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL24931236 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL6248395 0.98 CYP3A4 (0.49) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL6250414 0.98 CYP3A4 (0.49) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL28615504 0.89 ADRA2A (0.50) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL28615505 0.87 ADRA2A (0.48) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL12199933 0.86 CYP3A4 (0.58) CYP3A4ALDH1A1LMNACYP19A1CYP2D6
SCHEMBL9700063 0.85 ADRA2A (0.47) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL9700068 0.85 ADRA2A (0.47) CYP3A4ALDH1A1ADRA2AADRA2CLMNA
SCHEMBL19705616 0.85 ADRA2A (0.47) CYP3A4ALDH1A1ADRA2AADRA2CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4224246-A Process for the synthesis and separation of the threo and erythro isomers of 2-amino-1-phenyl-1-propanol INTERNATIONAL MINERALS AND CHEMICAL CORPORATION (US) 1980-09-23 US claimed
US-7553816-B2 p-amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2009-06-30 US disclosed
US-7091186-B2 p-Amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. (US) 2006-08-15 US disclosed
EP-1442006-B1 PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES BOEHRINGER INGELHEIM CHEMICALS (US) 2005-08-24 EP disclosed
EP-1442006-A2 PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES Boehringer Ingelheim Chemicals, Inc. (US) 2004-08-04 EP disclosed
US-20030130189-A1 P-amidobenzylethers in drug delivery agents SEAGEN INC. 2003-07-10 US disclosed
US-20030096743-A1 p-Amidobenzylethers in drug delivery agents SEATTLE GENETICS, INC. 2003-05-22 US disclosed
WO-2003037843-A2 PREPARATION OF AMPHETAMINES FROM PHENYLPROPANOLAMINES BOEHRINGER INGELHEIM CHEMICALS, INC. (US) 2003-05-08 WO disclosed
WO-2003026577-A2 P-AMIDOBENZYLETHERS IN DRUG DELIVERY AGENTS SEATTLE GENETICS, INC. (US) 2003-04-03 WO disclosed
US-6399828-B1 ACYLATION OF PHENYLPROPANOLAMINE; CATALYTIC HYDROGENATION BOEHRINGER INGELHEIM CHEMICALS, INC. 2002-06-04 US disclosed
US-4224246-A Process for the synthesis and separation of the threo and erythro isomers of 2-amino-1-phenyl-1-propanol INTERNATIONAL MINERALS AND CHEMICAL CORPORATION (US) 1980-09-23 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-20030130189-A1 P-amidobenzylethers in drug delivery agents ZYX, LPXN, NPBWR1 CYP3A4 2292/4885ALDH1A1 4568/4885ADRA2A 1991/4885
US-20030096743-A1 p-Amidobenzylethers in drug delivery agents ZYX, LPXN, NPBWR1 CYP3A4 1864/4885ALDH1A1 4530/4885ADRA2A 2195/4885

“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.