SCHEMBL6692383

SCHEMBL6692383

CN(C=O)C(OC1CCCC1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 8/20 0.54
▸ HIF1A Q16665 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ ADORA2B P29275 2/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ DOT1L Q8TEK3 1/20 0.50
▸ EHMT1 Q9H9B1 1/20 0.50

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
SCHEMBL5685760 0.90 AHCY (0.54) AHCYHIF1AADORA3ADORA2BADORA2A
SCHEMBL6697082 0.89 AHCY (0.52) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL7924078 0.89 AHCY (0.53) AHCYADORA3ADORA2BADORA2AADORA1
SCHEMBL6695446 0.89 AHCY (0.53) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL1972796 0.82 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL1093486 0.82 EHMT1 (0.56) AHCYADORA3ADORA2BADORA2AADORA1
SCHEMBL3486341 0.81 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1ADORA1
SCHEMBL536759 0.81 AHCY (0.52) AHCYHIF1ATMEM97SIGMAR1ADORA3
SCHEMBL3292851 0.81 AHCY (0.52) AHCYHIF1ATMEM97SIGMAR1ADORA1
SCHEMBL6406587 0.80 AHCY (0.56) AHCYADORA3ADORA2BADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US claimed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US claimed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 — — US claimed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 — — EP claimed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 — — WO claimed
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US disclosed
US-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADERIS PHARMACEUTICALS, INC. 2004-12-02 — — US disclosed
US-6784165-B1 ADENOSINE A1 RECEPTOR AGONISTS ADERIS PHARMACEUTICALS, INC. 2004-08-31 — — US disclosed
EP-1239864-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6 -SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES Aderis Pharmaceuticals, Inc. (US) 2002-09-18 — — EP disclosed
WO-2001037845-A1 TREATMENT OF HEART RHYTHM DISTURBANCES WITH N6-SUBSTITUTED-5'-(N-SUBSTITUTED) CARBOXAMIDOADENOSINES ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 — — 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-20040242930-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885HIF1A 4495/4885TMEM97 1900/4885
US-20040242531-A1 Treatment of heart rhythm disturbances with N6-substituted-5'-(N-substituted) carboxamidoadenosines ADRA1D, ADORA1, ADRA2C AHCY 598/4885HIF1A 4495/4885TMEM97 1900/4885

“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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