SCHEMBL6549264

SCHEMBL6549264

N[C@@H](CN1CCOCC1)[C@@H](O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.50
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
UGCG Q16739 1/20 0.49
MTOR P42345 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GMNN O75496 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL1085018 1.00 POLB (0.56) POLBKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL296051 1.00 POLB (0.56) POLBKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL12087995 1.00 POLB (0.56) POLBKMT2AMEN1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL293896 0.98 KMT2A (0.55) POLBKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL7679162 0.85 ALDH1A1 (0.49) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17016723 0.84 ALDH1A1 (0.49) POLBKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15417861 0.81 MEN1 (0.51) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL23610052 0.80 KDM4E (0.71) POLBKMT2AMEN1HSD17B10ATM
SCHEMBL2554004 0.80 POLB (0.54) POLBKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL4631795 0.80 POLB (0.54) POLBKMT2AMEN1ALDH1A1HSD17B10

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9828349-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity EXONHIT THERAPEUTICS SA (FR) 2017-11-28 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9399628-B2 1-aryl-1-hydroxy-2,3-diamino-propyl amines, 1-heteroaryl-1-hydroxy-2,3-diamino-propyl amines and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2016-07-26 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-9314466-B2 Methods for treating cognitive disorders using 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-19 US disclosed
US-9303021-B2 Methods for treating cognitive disorders using 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-05 US disclosed
US-9303021-B2 Methods for treating cognitive disorders using 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds ALLERGAN, INC. (US) 2016-04-05 US disclosed
US-20160083371-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY EXONHIT THERAPEUTICS SA (FR) 2016-03-24 US disclosed
US-20160083371-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY EXONHIT THERAPEUTICS SA (FR) 2016-03-24 US disclosed
WO-2008011487-A2 L-BENZYL-L-HYDR0XY-2, 3-DIAMIN0-PROPYL AMINES AND 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONICACID AMIDES FOR CHRONIC PAIN ALLERGAN, INC. (US) 2008-01-24 WO disclosed
WO-2008011478-A2 METHODS FOR TREATING CHRONIC PAIN USING 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2008-01-24 WO disclosed
EP-1106609-B1 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU KOGYO CO LTD (JP) 2004-12-01 EP disclosed
EP-0782992-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO CO LTD (JP) 2003-09-03 EP disclosed
US-6407064-B2 A MORPHOLINO RING CONTAINING ALKYLAMINOALCOHOL DERIVATIVE OR SALTS USEFUL FOR TREATING NEURONAL DISEASES AND AN AGENT FOR PROTECTING BRAIN SEIKAGAKU CORPORATION (JP) 2002-06-18 US disclosed
US-6335444-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-01 US disclosed
US-20010003741-A1 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU CORPORATION (JP) 2001-06-14 US disclosed
EP-1106609-A2 Aminoalcohol derivative and medicament comprising the same SEIKAGAKU CORPORATION (JP) 2001-06-13 EP disclosed
US-5907039-A Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-05-25 US disclosed
EP-0782992-A1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1997-07-09 EP 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-20010003741-A1 Aminoalcohol derivative and medicament comprising the same SGMS2, FABP7, SGMS1 POLB 3849/4885KMT2A 2489/4885MEN1 2933/4885
US-20160083371-A1 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRM1, OPRL1, MYD88 POLB 2134/4885KMT2A 1290/4885MEN1 3587/4885

“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.