SCHEMBL218009

SCHEMBL218009

OC[C@H]1OC(On2cnc(NCc3ccccc3)c3ncnc2-3)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ SLC29A1 Q99808 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SIGMAR1 Q99720 2/20 0.45
▸ ADRA2C P18825 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ HTR6 P50406 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SLC28A2 O43868 1/20 0.43
▸ HSPA8 P11142 1/20 0.43
▸ SLC5A1 P13866 3/20 0.43
▸ SLC5A2 P31639 3/20 0.43

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
SCHEMBL9386714 0.85 ADORA3 (0.43) ADORA3TP53SLC29A1TDP1
SCHEMBL217858 0.83 ADORA3 (0.53) ADORA3TP53SLC29A1TDP1SIGMAR1
SCHEMBL218679 0.83 ADORA3 (0.68) ADORA3TP53SLC29A1TDP1
SCHEMBL5373524 0.83 ADORA3 (0.68) ADORA3TP53SLC29A1TDP1
SCHEMBL9567835 0.83 ADORA3 (0.68) ADORA3TP53SLC29A1TDP1
SCHEMBL25173722 0.74 SLC29A1 (0.57) ADORA3TP53SLC29A1TDP1
SCHEMBL25173742 0.74 SLC29A1 (0.57) ADORA3TP53SLC29A1TDP1
SCHEMBL25176650 0.74 ADORA1 (0.55) ADORA3TP53SLC29A1TDP1SLC28A2
SCHEMBL25173642 0.74 ADORA3 (0.57) ADORA3TP53SLC29A1TDP1HTR2B
SCHEMBL25176536 0.74 ADORA3 (0.57) ADORA3TP53SLC29A1TDP1HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 — — US claimed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 — — US claimed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 — — WO claimed
US-20230265444-A1 GENE-EDITING IN CANNABIS PLANT CANOPY GROWTH CORPORATION (CA) 2023-08-24 — — US disclosed
US-8088752-B2 Methods for metabolic modulation VDF FUTURECEUTICALS, INC. (US) 2012-01-03 — — US disclosed
US-20090208620-A1 Alimentary Compositions and Methods For Metabolic Modulation VDF FUTURECEUTICALS, INC. (US) 2009-08-20 — — US disclosed
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION VDF FUTURECEUTICALS, INC. (US) 2009-08-13 — — US disclosed
US-20070184067-A1 Alimentary compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-08-09 — — US disclosed
US-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation VDF FUTURECEUTICALS 2007-07-12 — — US disclosed
WO-2005020892-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-03-10 — — WO disclosed
WO-2005016268-A2 ALIMENTARY COMPOSITIONS AND METHODS FOR METABOLIC MODULATION MITOCHROMA RESEARCH, INC. (US) 2005-02-24 — — 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 (2 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-20070161582-A1 Pharmaceutical compositions and methods for metabolic modulation GPR119, PRKAG2, PRKAG1 ADORA3 162/4885TP53 2033/4885SLC29A1 710/4885
US-20090203638-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR METABOLIC MODULATION GPR119, PRKAG2, GCKR ADORA3 153/4885TP53 2134/4885SLC29A1 670/4885

“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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