SCHEMBL6899478

SCHEMBL6899478

N[C@H]1c2ccsc2CC[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
KEAP1 Q14145 1/20 0.39
DRD3 P35462 2/20 0.38
LMNA P02545 1/20 0.36
GID4 Q8IVV7 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
DRD2 P14416 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HHAT Q5VTY9 1/20 0.32
NOS2 P35228 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL4616762 1.00 GRIN2B (0.39) GRIN2BKEAP1DRD3LMNAGID4
SCHEMBL3523506 0.80 KEAP1 (0.33) KEAP1DRD3NOS2
SCHEMBL3529213 0.80 KEAP1 (0.33) KEAP1DRD3NOS2
SCHEMBL3529215 0.80 KEAP1 (0.33) KEAP1DRD3NOS2
SCHEMBL6648853 0.77
SCHEMBL14916238 0.77
SCHEMBL14914794 0.77
SCHEMBL16519797 0.77 GRIN2B (0.42) GRIN2BKEAP1DRD3LMNAGID4
SCHEMBL6899248 0.77 GRIN2B (0.39) GRIN2BKEAP1DRD3LMNAGID4
SCHEMBL6101909 0.77 KEAP1 (0.39) GRIN2BKEAP1DRD3LMNAGID4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
EP-2509950-B1 5-Amino-4-hydroxypentoyl amides JANSSEN R & D IRELAND (IE) 2015-02-25 EP disclosed
US-8592429-B2 5-amino-4-hydroxypentoyl amides JANSSEN R&D IRELAND (IE) 2013-11-26 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
US-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES JANSSEN SCIENCES IRELAND UC (IE) 2012-11-22 US disclosed
WO-2011070131-A1 5-AMINO- 4-HYDROXYPENTOYL AMIDES TIBOTEC PHARMACEUTICALS (IE) 2011-06-16 WO 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-20120295920-A1 5-AMINO-4-HYDROXYPENTOYL AMIDES C1S, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-10 GRIN2B 4456/4885KEAP1 1942/4885DRD3 833/4885

“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.