SCHEMBL5629206

SCHEMBL5629206

CC1(C)OC[C@@H](CN2C(=O)C(N)Cc3ccccc32)O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 5/20 0.45
▸ GOT1 P17174 1/20 0.45
▸ KYAT1 Q16773 1/20 0.45
▸ KYAT3 Q6YP21 1/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ NAMPT P43490 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HTR1A P08908 4/20 0.35
▸ ADRA1A P35348 4/20 0.35
▸ ADRA1B P35368 4/20 0.35
▸ ADRA1D P25100 3/20 0.34
▸ NOTUM Q6P988 1/20 0.34

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
SCHEMBL5629328 1.00 AADAT (0.45) AADATGOT1KYAT1KYAT3TMEM97
SCHEMBL5629787 0.87 AADAT (0.48) AADATGOT1KYAT1KYAT3NOTUM
SCHEMBL5629239 0.82 AADAT (0.54) AADATGOT1KYAT1KYAT3ALDH1A1
SCHEMBL27600849 0.76 TMEM97 (0.40) AADATGOT1KYAT1KYAT3TMEM97
SCHEMBL27600865 0.76 TMEM97 (0.40) AADATGOT1KYAT1KYAT3TMEM97
SCHEMBL4072836 0.75 CYP1A2 (0.54) AADATGOT1KYAT1KYAT3ALDH1A1
SCHEMBL7434719 0.73 ALDH1A1 (0.52) TMEM97SIGMAR1ALDH1A1NPSR1KDM4E
SCHEMBL27542522 0.71 AADAT (0.55) AADATGOT1KYAT1KYAT3
SCHEMBL13232574 0.70 ALDH1A1 (0.47) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT
SCHEMBL14295523 0.70 ALDH1A1 (0.49) TMEM97SIGMAR1ALDH1A1NPSR1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 — — US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 — — US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 — — US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 — — US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 — — US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 — — US disclosed
US-7169927-B2 Indole-amide derivatives and their use as glycogen phosphorylase inhibitors ASTRAZENECA AB (SE) 2007-01-30 — — US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 — — US disclosed
US-20050131016-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-06-16 — — US disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 — — US 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 (3 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 AADAT 3906/4885GOT1 170/4885KYAT1 2912/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 AADAT 4266/4885GOT1 267/4885KYAT1 3914/4885
US-20050131016-A1 Chemical compounds PYGL, GYS1, CA9 AADAT 4049/4885GOT1 421/4885KYAT1 2857/4885

“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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