SCHEMBL10063641

SCHEMBL10063641

C#[N+]CC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DPP4 P27487 2/20 0.39
BPTF Q12830 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL14477743 0.98 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
SCHEMBL10030167 0.80 L3MBTL1 (0.53) ALDH1A1SMN1; SMN2L3MBTL1GAAMEN1
SCHEMBL16938545 0.80 TDP1 (0.46) SMN1; SMN2L3MBTL1TDP1KMT2AHTT
SCHEMBL16387013 0.80 FAAH (0.39) ALDH1A1SMN1; SMN2ATMTDP1MEN1
SCHEMBL295163 0.76 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
SCHEMBL2696686 0.74 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATML3MBTL1GAA
SCHEMBL206420 0.72
SCHEMBL12174589 0.72
SCHEMBL14477746 0.72 USP2 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHPGD
SCHEMBL16938514 0.71 DPP4 (0.41) ALDH1A1DPP4NPC1

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 8 patents. 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-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-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-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-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 (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 ALDH1A1 246/4885SMN1; SMN2 1819/4885ATM 4434/4885
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 ALDH1A1 246/4885SMN1; SMN2 1819/4885ATM 4434/4885
US-20090281085-A1 3-(4-FLUOROPHENYL)-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS HAVING ANALGESIC ACTIVITY OPRL1, OPRK1, OPRM1 ALDH1A1 164/4885SMN1; SMN2 2596/4885ATM 4651/4885
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 ALDH1A1 168/4885SMN1; SMN2 1320/4885ATM 2552/4885

“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.