SCHEMBL1088041

SCHEMBL1088041

COc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(C)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 16/20 0.69
SMN1; SMN2 Q16637 2/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL3636099 0.90 UGCG (0.66) UGCGSMN1; SMN2MITFALDH1A1LMNA
SCHEMBL3103915 0.90 UGCG (0.66) UGCGSMN1; SMN2MITFALDH1A1LMNA
SCHEMBL3103924 0.90 UGCG (0.66) UGCGSMN1; SMN2MITFALDH1A1LMNA
SCHEMBL1088908 0.86 UGCG (0.67) UGCG
SCHEMBL19354950 0.86 UGCG (0.67) UGCG
SCHEMBL13493071 0.84 UGCG (0.66) UGCGSMN1; SMN2LMNAHIF1A
SCHEMBL7999211 0.84 UGCG (0.66) UGCGSMN1; SMN2LMNAHIF1A
SCHEMBL12406950 0.84 UGCG (0.66) UGCGSMN1; SMN2LMNAHIF1A
SCHEMBL13569487 0.84 UGCG (0.67) UGCGSMN1; SMN2LMNAHIF1A
SCHEMBL12091640 0.84 UGCG (0.67) UGCGSMN1; SMN2LMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2481407-A1 Compounds for use in treating cognitive disorders Allergan, Inc. (US) 2012-08-01 EP 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
WO-2009100095-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY ALLERGAN, INC. (US) 2009-08-13 WO 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 (7 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 4112/4885SMN1; SMN2 1819/4885MITF 797/4885
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 UGCG 3951/4885SMN1; SMN2 2596/4885MITF 3018/4885
US-20090318499-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY OPRK1, OPRM1, OPRL1 UGCG 3478/4885SMN1; SMN2 740/4885MITF 255/4885
US-20120190712-A1 Methods for Treating Cognitive Disorders CHAT, SLC18A3, SLC18A2 UGCG 556/4885SMN1; SMN2 1059/4885MITF 4720/4885
US-20100048642-A1 METHODS FOR TREATING COGNITIVE DISORDERS CHAT, SLC18A3, SLC18A2 UGCG 556/4885SMN1; SMN2 1059/4885MITF 4720/4885
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 2208/4885SMN1; SMN2 799/4885MITF 2680/4885
US-20120157497-A1 COMPOUNDS HAVING ANALGESIC AND/OR IMMUNOSTIMULANT ACTIVITY OPRK1, OPRM1, OPRL1 UGCG 3478/4885SMN1; SMN2 740/4885MITF 255/4885

“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.