SCHEMBL1085010

SCHEMBL1085010

CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 16/20 0.79
HTR1A P08908 1/20 0.67
PTGS1 P23219 1/20 0.67
OPRM1 P35372 1/20 0.67
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
NFKB1 P19838 1/20 0.64
MAPK1 P28482 1/20 0.64
CYP2C19 P33261 1/20 0.64
HIF1A Q16665 1/20 0.64
MAPT P10636 1/20 0.64
MTOR P42345 1/20 0.64
GMNN O75496 1/20 0.63
LMNA P02545 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63

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
SCHEMBL7926312 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12088025 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL3748105 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL1373500 1.00 UGCG (0.79) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL12406950 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7999211 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL13493071 0.92 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL7922965 0.91 UGCG (0.66) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL8082637 0.91 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1
SCHEMBL19043210 0.90 UGCG (0.64) UGCGHTR1APTGS1OPRM1MEN1

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 22 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-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-8835463-B2 Compounds having analgesic and/or immunostimulant activity ALLERGAN, INC. (US) 2014-09-16 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-20140107158-A1 METHODS FOR TREATING COGNITIVE DISORDERS ALLERGAN, INC. (US) 2014-04-17 US disclosed
US-8629165-B2 Methods for treating cognitive disorders ALLERGAN, INC. (US) 2014-01-14 US disclosed
US-8623891-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) 2014-01-07 US disclosed
US-20130202653-A1 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) 2013-08-08 US disclosed
US-8431599-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) 2013-04-30 US disclosed
US-20120190712-A1 Methods for Treating Cognitive Disorders EXONHIT THERAPEUTICS SA (FR) 2012-07-26 US disclosed
US-20120157497-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY ALLERGAN, INC. 2012-06-21 US disclosed
US-8173683-B2 Methods for treating cognitive disorders ALLERGAN, INC. (US) 2012-05-08 US disclosed
US-8168631-B2 3-(4-fluorophenyl)-3-hydroxy-2-amino-propionic acid amides and related compounds having analgesic activity ALLERGAN, INC. (US) 2012-05-01 US disclosed
US-8153666-B2 Compounds having analgesic and/or immunostimulant activity ALLERGAN, INC. (US) 2012-04-10 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-20100048642-A1 METHODS FOR TREATING COGNITIVE DISORDERS ALLERGAN, INC. (US) 2010-02-25 US disclosed
US-20090318499-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY ALLERGAN, INC. 2009-12-24 US disclosed
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. 2009-11-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 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 UGCG 4112/4885HTR1A 88/4885PTGS1 168/4885
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 UGCG 3951/4885HTR1A 271/4885PTGS1 17/4885
US-20090318499-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY OPRK1, OPRM1, OPRL1 UGCG 3478/4885HTR1A 1217/4885PTGS1 64/4885
US-20120190712-A1 Methods for Treating Cognitive Disorders CHAT, SLC18A3, SLC18A2 UGCG 556/4885HTR1A 118/4885PTGS1 2164/4885
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 UGCG 2265/4885HTR1A 97/4885PTGS1 2260/4885
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 UGCG 2265/4885HTR1A 97/4885PTGS1 2260/4885
US-20100048642-A1 METHODS FOR TREATING COGNITIVE DISORDERS CHAT, SLC18A3, SLC18A2 UGCG 556/4885HTR1A 118/4885PTGS1 2164/4885
US-20140107158-A1 METHODS FOR TREATING COGNITIVE DISORDERS CHAT, SLC18A3, SLC18A2 UGCG 556/4885HTR1A 118/4885PTGS1 2164/4885
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 UGCG 2208/4885HTR1A 105/4885PTGS1 2245/4885
US-20120157497-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY OPRK1, OPRM1, OPRL1 UGCG 3478/4885HTR1A 1217/4885PTGS1 64/4885
US-20130202653-A1 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 HCAR2, HCAR3, OPRL1 UGCG 4349/4885HTR1A 91/4885PTGS1 146/4885

“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.