SCHEMBL4213020

SCHEMBL4213020

N[C@@H](Cc1ccncc1)C(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 7/20 0.54
HDAC8 Q9BY41 5/20 0.50
CHRM1 P11229 1/20 0.49
HRH2 P25021 2/20 0.48
HRH1 P35367 2/20 0.48
DPP4 P27487 4/20 0.48
DPP7 Q9UHL4 1/20 0.46
AKT2 P31751 1/20 0.45
AKT3 Q9Y243 1/20 0.45

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
SCHEMBL4213022 1.00 AKT1 (0.54) AKT1HDAC8CHRM1HRH2HRH1
SCHEMBL10180336 1.00 AKT1 (0.54) AKT1HDAC8CHRM1HRH2HRH1
Hydrochloric Acid SCHEMBL4205419 0.98 AKT1 (0.53) AKT1HDAC8CHRM1HRH2HRH1
SCHEMBL10305171 0.98 AKT1 (0.53) AKT1HDAC8CHRM1HRH2HRH1
Hydrochloric Acid SCHEMBL4211151 0.98 AKT1 (0.53) AKT1HDAC8CHRM1HRH2HRH1
Hydrochloric Acid SCHEMBL4205423 0.98 AKT1 (0.53) AKT1HDAC8CHRM1HRH2HRH1
SCHEMBL6268215 0.87 AKT1 (0.51) AKT1HDAC8CHRM1HRH2HRH1
SCHEMBL6657766 0.85 AKT1 (0.59) AKT1CHRM1HRH2HRH1AKT2
SCHEMBL6657763 0.85 AKT1 (0.59) AKT1CHRM1HRH2HRH1AKT2
Hydrochloric Acid SCHEMBL3960080 0.84 AKT1 (0.58) AKT1HDAC8CHRM1HRH2HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1841743-B1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN INC (US) 2016-01-20 EP disclosed
EP-2474534-B1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity ALLERGAN INC (US) 2015-07-29 EP disclosed
US-8927589-B2 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-aminopropionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-8927589-B2 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-aminopropionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2015-01-06 US disclosed
US-20140296287-A1 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) 2014-10-02 US disclosed
US-20140296287-A1 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) 2014-10-02 US disclosed
US-20140179925-A1 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) 2014-06-26 US disclosed
US-20140179925-A1 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) 2014-06-26 US disclosed
US-8288556-B2 3-aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immuno stimulant activity ALLERGAN, INC. (US) 2012-10-16 US disclosed
EP-2474534-A1 3-Aryl-3-hydroxy-2-amino-propionic acid amides, 3-heteroaryl-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic and/or immunostimulant activity Allergan, Inc. (US) 2012-07-11 EP disclosed
US-20100093793-A1 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) 2010-04-15 US disclosed
US-20100093793-A1 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) 2010-04-15 US disclosed
US-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. 2009-02-05 US disclosed
US-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. 2009-02-05 US disclosed
US-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. 2009-02-05 US 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-1841743-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY Allergan, Inc. (US) 2007-10-10 EP disclosed
WO-2006081273-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROAYRYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY ALLERGAN, INC. (US) 2006-08-03 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 (4 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-20090036436-A1 3-ARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES, 3-HETEROARYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRL1, HCAR2, OPRM1 AKT1 4670/4885HDAC8 1446/4885CHRM1 229/4885
US-20140179925-A1 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 SLC1A2, GRIN2C, GRIN2A AKT1 4218/4885HDAC8 1816/4885CHRM1 624/4885
US-20140296287-A1 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 SLC1A2, GRIN2C, GRIN2A AKT1 4218/4885HDAC8 1816/4885CHRM1 624/4885
US-20100093793-A1 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 SLC1A2, AADAT, AANAT AKT1 4222/4885HDAC8 1911/4885CHRM1 694/4885

“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.