SCHEMBL5720982

SCHEMBL5720982

CCCCOC(=O)CC(N)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PDE4D Q08499 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ESR1 P03372 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5720856 0.91 MEN1 (0.40) SLC2A1SMN1; SMN2LMNAMAPK1TSHR
SCHEMBL2367085 0.89 SMN1; SMN2 (0.39) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720898 0.87 SMN1; SMN2 (0.45) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720925 0.86 FAAH (0.47) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720835 0.86 L3MBTL1 (0.48) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720923 0.86 SLC2A1 (0.43) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720899 0.86 FAAH (0.48) SLC2A1SMN1; SMN2L3MBTL1NPC1HPGD
SCHEMBL5720836 0.85 TSHR (0.49) SLC2A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL5697642 0.85 TSHR (0.49) SLC2A1SMN1; SMN2L3MBTL1NPC1RAB9A
SCHEMBL5720859 0.85 ALDH1A1 (0.47) SMN1; SMN2L3MBTL1NPC1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867207-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS Eli Lilly and Company (US) 2015-05-06 EP disclosed
WO-2014004229-A1 PHENOXYETHYL PIPERIDINE COMPOUNDS ELI LILLY AND COMPANY (US) 2014-01-03 WO disclosed
US-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto UBE INDUSTRIES, LTD. (JP) 2006-08-10 US disclosed
EP-1621529-A1 3-AMINO-3-ARYLPROPIONIC ACID n-ALKYL ESTERS, PROCESS FOR PRODUCTION THEREOF, AND PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE 3-AMINO-3-ARYLPROPIONIC ACIDS AND ESTERS OF THE ANTIPODES THERETO Ube Industries, Ltd. (JP) 2006-02-01 EP 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-20060178433-A1 3-Amino-3-arylpropionic acid n-alkyl esters, process for production thereof, and process for production of optically active 3-amino-3-arylpropionic acids and esters of the antipodes thereto ALAD, ARSA, ALDH7A1 SLC2A1 3606/4885SMN1; SMN2 3856/4885L3MBTL1 3001/4885

“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.