SCHEMBL4869369

SCHEMBL4869369

O=[C]CN(CCO)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 2/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HSD17B10 Q99714 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TSHR P16473 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ACHE P22303 2/20 0.44
▸ HDAC3 O15379 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC2 Q92769 3/20 0.41
▸ HDAC8 Q9BY41 3/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 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
SCHEMBL8504883 0.85 ALDH1A1 (0.45) ALDH1A1LMNAKDM4ETSHRACHE
SCHEMBL79747 0.82 HTT (0.62) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL122771 0.82 HTT (0.68) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL15231351 0.82 MAOB (0.54) HTTALDH1A1LMNAMEN1KMT2A
Bromide SCHEMBL15391224 0.81 HTT (0.61) HTTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL6162321 0.81 HTT (0.66) HTTALDH1A1LMNAMEN1KMT2A
Water SCHEMBL28303092 0.81 HTT (0.61) HTTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL2313460 0.81 HTT (0.61) HTTALDH1A1LMNAMEN1KMT2A
SCHEMBL9320386 0.81 HTT (0.66) HTTALDH1A1LMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL30519814 0.79 HTT (0.59) HTTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332515-B2 Indole-amid derivatives which possess glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2008-02-19 — — US disclosed
US-20070123528-A1 INDOLE-AMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2007-05-31 — — US disclosed
US-7166636-B2 Type 2 diabetes, insulin resistance, syndrome X, hyperinsulinemia, or hyperglucagonemia; methyl (S)-5-{1-[(5-chloro-1H-indol-2-ylcarbonyl)amino]-2-phenylethyl}oxazole-4-carboxylate; amidation by reacting the 2-carboxyindole and a 1,2-diphenylethylamine ASTRAZENECA AB (SE) 2007-01-23 — — US disclosed
EP-1483271-B1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2006-11-22 — — EP disclosed
US-7138415-B2 Indolamid derivatives which possess glycogenphosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-11-21 — — US disclosed
US-7122567-B2 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2006-10-17 — — US disclosed
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 — — US disclosed
US-20050130963-A1 Indole-amid derivatives which possess glycogen phosphorylase inhibitory activity ASTRAZENECA AB (SE) 2005-06-16 — — US disclosed
US-20050107362-A1 Indolamid derivatives which possess glycogenphosphorylase inhibitory activity ASTRA ZENECA AB (SE) 2005-05-19 — — US disclosed
EP-1483240-A1 INDOLAMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY AstraZeneca AB (SE) 2004-12-08 — — EP disclosed
EP-1483271-A1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY Astrazeneca AB (SE) 2004-12-08 — — EP disclosed
WO-2003074531-A1 HETEROCYCLIC AMIDE DERIVATIVES HAVING GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-12 — — WO disclosed
WO-2003074484-A1 INDOLAMID DERIVATIVES WHICH POSSESS GLYCOGENPHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2003-09-12 — — 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 (4 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-20050107362-A1 Indolamid derivatives which possess glycogenphosphorylase inhibitory activity PYGL, PYGM, PYGB HTT 1246/4885ALDH1A1 3014/4885LMNA 836/4885
US-20050130963-A1 Indole-amid derivatives which possess glycogen phosphorylase inhibitory activity GYS1, PYGL, GYS2 HTT 1189/4885ALDH1A1 3962/4885LMNA 1042/4885
US-20070123528-A1 INDOLE-AMID DERIVATIVES WHICH POSSESS GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY PYGL, PYGM, PYGB HTT 1265/4885ALDH1A1 1717/4885LMNA 227/4885
US-20050131052-A1 Heterocyclic amide derivatives having glycogen phosphorylase inhibitory activity PYGL, GYS1, CBR3 HTT 1192/4885ALDH1A1 3143/4885LMNA 967/4885

“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.

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