SCHEMBL3496201

SCHEMBL3496201

C[C@@H]1CCCN1C(=O)c1coc(-c2ccc(CO)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PDE4B Q07343 7/20 0.40
CNR2 P34972 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL3497206 1.00 SCD5 (0.44) SCD5GAATP53HPGDNPC1
SCHEMBL6396862 0.82 KMT2A (0.48) GAATP53NPC1RAB9AALDH1A1
SCHEMBL3497168 0.80 PDE4B (0.43) NPC1RAB9AALDH1A1PDE4BTSHR
SCHEMBL6396015 0.79 GAA (0.48) GAATP53HPGDNPC1RAB9A
SCHEMBL6392907 0.79 GAA (0.38) SCD5GAATP53HPGDNPC1
SCHEMBL6393223 0.79 ADAM17 (0.41) GAAHPGDNPC1ALDH1A1LMNA
SCHEMBL3497157 0.78 PDE4B (0.40) SCD5GAATP53HPGDNPC1
SCHEMBL6392717 0.78 HTT (0.46) GAATP53HPGDNPC1RAB9A
SCHEMBL6392177 0.77 HRH3 (0.44) GAATP53HPGDNPC1RAB9A
SCHEMBL6392360 0.77 HPGD (0.47) GAATP53HPGDNPC1RAB9A

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
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 SCD5 3664/4885GAA 1782/4885TP53 4876/4885

“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.