SCHEMBL4157374

SCHEMBL4157374

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
SLC7A5 Q01650 1/20 0.36
PREP P48147 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL16387012 1.00 DPP4 (0.36) DPP4SLC7A5PREPDPP7ALDH1A1
SCHEMBL3983698 1.00 DPP4 (0.36) DPP4SLC7A5PREPDPP7ALDH1A1
SCHEMBL4139897 1.00 DPP4 (0.36) DPP4SLC7A5PREPDPP7ALDH1A1
SCHEMBL4155785 1.00 DPP4 (0.36) DPP4SLC7A5PREPDPP7ALDH1A1
SCHEMBL13374234 1.00 DPP4 (0.36) DPP4SLC7A5PREPDPP7ALDH1A1
Hydrochloric Acid SCHEMBL14780005 0.97 DPP4 (0.35) DPP4SLC7A5PREPDPP7
Hydrochloric Acid SCHEMBL14780002 0.97 DPP4 (0.35) DPP4SLC7A5PREPDPP7
SCHEMBL1953318 0.81 DPP4 (0.52) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL2496592 0.81 DPP4 (0.52) DPP4SLC7A5DPP7ALDH1A1TSHR
SCHEMBL14889871 0.81 DPP4 (0.52) DPP4SLC7A5DPP7ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130310383-A1 1-ARYL -1-HYDROXY -2,3-DIAMINO-PROPYL AMIN ES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY ALLERGAN, INC. (US) 2013-11-21 US disclosed
US-8513288-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) 2013-08-20 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-20130005717-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 EXONHIT THERAPEUTICS SA (FR) 2013-01-03 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
US-20110288094-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 ALLERGAN, INC. (US) 2011-11-24 US disclosed
US-8013000-B2 3-heteroaryl-3-hydroxy-2-amino-propyl amines and related compounds having analgesic and/or immuno stimlant activity ALLERGAN, INC. (US) 2011-09-06 US disclosed
US-20100105687-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS ALLERGAN, INC. (US) 2010-04-29 US disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 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
US-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity EXONHIT THERAPEUTICS SA (FR) 2008-12-18 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 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 (8 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-20080312236-A1 3-Heteroaryl-3-Hydroxy-2-Amino-Propyl Amines And Related Compounds Having Analgesic And/Or Immuno Stimlant Activity OPRL1, OPRM1, MRGPRX2 DPP4 1773/4885SLC7A5 3911/4885PREP 685/4885
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 DPP4 1184/4885SLC7A5 2960/4885PREP 682/4885
US-20130310383-A1 1-ARYL -1-HYDROXY -2,3-DIAMINO-PROPYL AMIN ES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS HAVING ANALGESIC AND/OR IMMUNO STIMULANT ACTIVITY OPRL1, OPRM1, OPRK1 DPP4 751/4885SLC7A5 2485/4885PREP 623/4885
US-20130005717-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 DPP4 1184/4885SLC7A5 2960/4885PREP 682/4885
US-20100105687-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING 1-ARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 1-HETEROARYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES AND RELATED COMPOUNDS SLC1A2, PNMT, HTR2C DPP4 1028/4885SLC7A5 719/4885PREP 342/4885
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 DPP4 3051/4885SLC7A5 591/4885PREP 2089/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 DPP4 3051/4885SLC7A5 591/4885PREP 2089/4885
US-20110288094-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 DPP4 674/4885SLC7A5 3164/4885PREP 704/4885

“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.