SCHEMBL5963374

SCHEMBL5963374

CCOCCOc1ccc(OCC(O)CNCCc2ccc(OC)c(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.72
ADRB2 P07550 1/20 0.65
ADRB1 P08588 1/20 0.65
HTR1A P08908 1/20 0.65
ADRA2C P18825 1/20 0.65
SLC6A4 P31645 1/20 0.65
ADRA1A P35348 1/20 0.65
HTR2B P41595 1/20 0.65
SLC6A3 Q01959 1/20 0.65
KCNH2 Q12809 1/20 0.65
KDM4E B2RXH2 1/20 0.64

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
SCHEMBL4531206 1.00 KMT2A (0.72) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7317527 0.86 KMT2A (0.67) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11097621 0.86 KMT2A (0.70) KMT2AADRB2ADRB1HTR1AADRA2C
Hydrochloric Acid SCHEMBL11094534 0.85 KMT2A (0.71) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL7320022 0.85 ADRB2 (0.78) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL8835982 0.85 KMT2A (0.78) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11884643 0.85 ADRB2 (0.80) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL14155281 0.84 KMT2A (0.62) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL10554140 0.83 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C
SCHEMBL11259043 0.83 KMT2A (0.75) KMT2AADRB2ADRB1HTR1AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129379-B2 3-amino-propoxphenyl derivatives (l) WILLIAM JOHN LOUIS, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2006-10-31 US claimed
EP-0937030-B1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) LOUIS WILLIAM JOHN (AU) 2004-03-31 EP claimed
US-20030216477-A1 3-amino-propoxphenyl derivatives (I) THE UNIVERSITY OF MELBOURNE 2003-11-20 US claimed
US-6627662-B2 Potent, beta 1-specific beta blockers with a short duration of action in the systemic circulation, wherein R is 3',4'-dimethoxyphenyl. R1 is hydrogen, and R2 is selected from methyl, ethyl, propyl, isobutyl and isopropyl; or R is WILLIAM JOHN LOUIS, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2003-09-30 US claimed
US-20030100616-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) LOUIS, WILLIAM JOHN, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2003-05-29 US claimed
EP-0937030-A4 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) UNIV MELBOURNE (AU) 2000-06-07 EP claimed
EP-0937030-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) THE UNIVERSITY OF MELBOURNE (AU) 1999-08-25 EP claimed
WO-1997013744-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) THE UNIVERSITY OF MELBOURNE (AU) 1997-04-17 WO claimed
US-7129379-B2 3-amino-propoxphenyl derivatives (l) WILLIAM JOHN LOUIS, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2006-10-31 US disclosed
EP-0937030-B1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) LOUIS WILLIAM JOHN (AU) 2004-03-31 EP disclosed
US-20030216477-A1 3-amino-propoxphenyl derivatives (I) THE UNIVERSITY OF MELBOURNE 2003-11-20 US disclosed
US-6627662-B2 Potent, beta 1-specific beta blockers with a short duration of action in the systemic circulation, wherein R is 3',4'-dimethoxyphenyl. R1 is hydrogen, and R2 is selected from methyl, ethyl, propyl, isobutyl and isopropyl; or R is WILLIAM JOHN LOUIS, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2003-09-30 US disclosed
US-20030100616-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) LOUIS, WILLIAM JOHN, AUSTIN AND REPATRIATION MEDICAL CENTRE (AU) 2003-05-29 US disclosed
EP-0937030-A4 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) UNIV MELBOURNE (AU) 2000-06-07 EP disclosed
EP-0937030-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) THE UNIVERSITY OF MELBOURNE (AU) 1999-08-25 EP disclosed
WO-1997013744-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) THE UNIVERSITY OF MELBOURNE (AU) 1997-04-17 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-20030216477-A1 3-amino-propoxphenyl derivatives (I) ADRB1, ADRB3, ADRB2 KMT2A 3287/4885ADRB2 3/4885ADRB1 1/4885
US-20030100616-A1 3-AMINO-PROPOXYPHENYL DERIVATIVES (I) ADRB1, ADRB3, ADRB2 KMT2A 3068/4885ADRB2 3/4885ADRB1 1/4885

“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.