SCHEMBL3388486

SCHEMBL3388486

N[C@@H](CO)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 1/20 0.45
TSHR P16473 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
TP53 P04637 1/20 0.42
KCNA5 P22460 6/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
SCN5A Q14524 1/20 0.42
KCND3 Q9UK17 1/20 0.42
KCNH2 Q12809 1/20 0.42
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1439087 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
SCHEMBL24099467 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
SCHEMBL10002427 1.00 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL26907074 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL1440645 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL17497471 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL1439582 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL31473276 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
Hydrochloric Acid SCHEMBL1439293 0.98 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D
SCHEMBL22559174 0.86 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3TSHRGRIN2D

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
WO-2014084312-A1 IMIDAZOPYRIDINE COMPOUND アステラス製薬株式会社 (JP) 2014-06-05 WO disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
US-20090028818-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-01-29 US disclosed
WO-2009013171-A2 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090028818-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 SLC6A2 3422/4885SLC6A4 1714/4885SLC6A3 2831/4885

“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.