SCHEMBL371187

SCHEMBL371187

N[C@@H](C(=O)N1CCCC1)C(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.47
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
DPP7 Q9UHL4 2/20 0.46
EPHX2 P34913 1/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
KCNA5 P22460 2/20 0.43
CYP2C19 P33261 2/20 0.43
KCNH2 Q12809 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HIF1A Q16665 1/20 0.43
CHRM3 P20309 2/20 0.43

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
SCHEMBL12087961 1.00 DPP4 (0.47) DPP4HPGDKDM4EMAPTKMT2A
SCHEMBL367412 1.00 DPP4 (0.47) DPP4HPGDKDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL295528 0.98 LMNA (0.46) DPP4HPGDKDM4EMAPTKMT2A
SCHEMBL3304931 0.91 HPGD (0.50) DPP4HPGDKMT2ANPSR1DPP7
SCHEMBL10301456 0.91 HPGD (0.50) DPP4HPGDKMT2ANPSR1DPP7
SCHEMBL3298895 0.91 HPGD (0.50) DPP4HPGDKMT2ANPSR1DPP7
SCHEMBL3301801 0.91 HPGD (0.50) DPP4HPGDKMT2ANPSR1DPP7
SCHEMBL3299376 0.91 HPGD (0.50) DPP4HPGDKMT2ANPSR1DPP7
Hydrochloric Acid SCHEMBL4213355 0.90 HPGD (0.49) DPP4HPGDKMT2ANPSR1DPP7
SCHEMBL10305139 0.85 HIF1A (0.41) DPP4HPGDMAPTKMT2ADPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2198864-B1 Pharmaceutical compositions having an analgesic effect and containing 1-benzyl-1-hydroxy-2,3-diamino-propyl amines, 3-benzyl-3-hydroxy-2-amino propionic acid amides or related compounds ALLERGAN INC (US) 2012-03-14 EP disclosed
US-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-04-02 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 (1 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-20090088433-A1 METHODS OF USING AS ANALGESICS 1-BENZYL-1-HYDROXY-2,3-DIAMINO-PROPYL AMINES, 3-BENZYL-3-HYDROXY-2-AMINO-PROPIONIC ACID AMIDES AND RELATED COMPOUNDS OPRL1, OPRK1, AADAT DPP4 936/4885HPGD 113/4885KDM4E 2761/4885

“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.