SCHEMBL1729047

SCHEMBL1729047

BC#N.CN(C)CC(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
SLC6A2 P23975 7/20 0.54
SLC6A4 P31645 7/20 0.54
SLC6A3 Q01959 7/20 0.54
HTR2A P28223 1/20 0.52
HRH1 P35367 1/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
KCNH2 Q12809 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RIPK1 Q13546 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
SCHEMBL907640 0.89 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL804251 0.89 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL907809 0.89 AOC3 (0.70) AOC3SLC6A2SLC6A4SLC6A3HTR2A
Hydrochloric Acid SCHEMBL7244349 0.87 AOC3 (0.68) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL25101015 0.75 TAAR1 (0.54) AOC3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL12993183 0.75 AOC3 (0.68) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL6320573 0.75 TAAR1 (0.54) AOC3SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL6284970 0.75 AOC3 (0.68) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL31068723 0.75 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL25263668 0.75 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP claimed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO claimed
EP-1934234-B1 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RES DEV CO (IL) 2011-11-30 EP disclosed
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2010-11-11 US disclosed
US-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2009-05-21 US disclosed
EP-1940421-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-07-09 EP disclosed
EP-1934234-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF Yissum Research Development Company, of The Hebrew University of Jerusalem (IL) 2008-06-25 EP disclosed
WO-2007032004-A1 USE OF AMINE-BORANE COMPOUNDS AS ANTI-MICROBIAL AGENTS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 WO disclosed
WO-2007032005-A2 NOVEL AMINE-BORANE COMPOUNDS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-03-22 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-20090131366-A1 Use of Amine-Borane Compounds as Anti-Microbial Agents BCAT2, BCAT1, ARG1 AOC3 135/4885SLC6A2 610/4885SLC6A4 1463/4885
US-20100284914-A1 Novel Amine-Borane Compounds and Uses Thereof SLC1A5, BDKRB1, PAICS AOC3 874/4885SLC6A2 340/4885SLC6A4 546/4885

“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.