SCHEMBL7205266

SCHEMBL7205266

Nc1nc(C2CC3CCC2C3)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.63
ADORA2B P29275 4/20 0.63
LMNA P02545 1/20 0.61
NT5E P21589 1/20 0.61
HIF1A Q16665 1/20 0.61
ADORA3 P0DMS8 3/20 0.58
ADORA1 P30542 1/20 0.58

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
SCHEMBL122575 0.85 ADORA3 (0.66) ADORA2AADORA2BNT5EADORA3ADORA1
SCHEMBL9762773 0.82 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL9762789 0.82 ADORA2A (0.72) ADORA2AADORA2B
SCHEMBL16600157 0.81 LMNA (0.72) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL7453847 0.80 ADORA2A (0.64) ADORA2AADORA2BADORA3ADORA1
SCHEMBL24359132 0.78 LMNA (0.78) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL440329 0.78 LMNA (0.78) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL972926 0.78 LMNA (0.78) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL16579288 0.78 LMNA (0.78) ADORA2AADORA2BLMNANT5EHIF1A
SCHEMBL22559823 0.78 LMNA (0.78) ADORA2AADORA2BLMNANT5EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 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 (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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 ADORA2A 84/4885ADORA2B 113/4885LMNA 4166/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 ADORA2A 84/4885ADORA2B 113/4885LMNA 4166/4885

“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.