SCHEMBL21058233

SCHEMBL21058233

CC(C)(N)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.56
LTA4H P09960 1/20 0.55
EPHX2 P34913 1/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
MAOA P21397 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FFAR1 O14842 1/20 0.54
FFAR4 Q5NUL3 1/20 0.54
BCHE P06276 5/20 0.53
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51

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
SCHEMBL29802236 0.85 LTA4H (0.57) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL4809858 0.85 LTA4H (0.57) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL4809864 0.85 LTA4H (0.57) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL11579580 0.83 SLC6A2 (0.66) MAOBLTA4HEPHX2GAAMAPT
SCHEMBL451516 0.82 TAAR1 (0.60) MAOBMAOARAB9ASMN1; SMN2LMNA
SCHEMBL1497957 0.81 LTA4H (0.60) MAOBLTA4HEPHX2GAAMAPT
Bromide SCHEMBL11038152 0.80 TAAR1 (0.58) MAOBMAOARAB9ASMN1; SMN2LMNA
Water SCHEMBL2959270 0.80 TAAR1 (0.58) MAOBMAOARAB9ASMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL11164072 0.80 TAAR1 (0.58) MAOBMAOARAB9ASMN1; SMN2LMNA
SCHEMBL27514138 0.80 LTA4H (0.51) MAOBLTA4HEPHX2FFAR1FFAR4

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-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
CN-102175786-B Aminopropanol derivatives NOVARTIS AG 2013-07-17 CN disclosed
CN-103193822-A Aminopropanol derivatives NOVARTIS AG 2013-07-10 CN disclosed
CN-102175786-A Aminopropanol derivatives NOVARTIS AG 2011-09-07 CN disclosed
CN-1874996-B Aminopropanol derivatives NOVARTIS AG 2011-05-18 CN disclosed
CN-1874996-A Aminopropanol derivatives NOVARTIS AG (CH) 2006-12-06 CN 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-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT MAOB 337/4885LTA4H 344/4885EPHX2 347/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT MAOB 333/4885LTA4H 366/4885EPHX2 357/4885

“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.