SCHEMBL241446

SCHEMBL241446

O=C(N[C@@H]1CCNC1)N[C@@H]1CCNC1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 9/20 0.74
POLB P06746 1/20 0.48
EPHX2 P34913 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
KCNH2 Q12809 1/20 0.45
KDM1A O60341 1/20 0.41
SLC6A1 P30531 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRB2 P47870 1/20 0.39
SLC6A12 P48065 1/20 0.39
SLC6A11 P48066 1/20 0.39
SLC6A13 Q9NSD5 1/20 0.39

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
SCHEMBL241447 1.00 EPHX1 (0.74) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL3910751 1.00 EPHX1 (0.74) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL13459981 0.92 EPHX1 (0.78) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL14097633 0.87 EPHX1 (0.57) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL14097638 0.87 EPHX1 (0.57) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL26553729 0.87 EPHX1 (0.57) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL1412186 0.87 EPHX1 (0.62) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL8959925 0.87 EPHX1 (0.62) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL1412183 0.87 EPHX1 (0.62) EPHX1POLBEPHX2NPC1RAB9A
SCHEMBL4363873 0.87 EPHX1 (0.62) EPHX1POLBEPHX2NPC1RAB9A

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
WO-2007121919-A1 PURINE DERIVATIVES WITH ACTIVITY TO THE ADENOSINE A2A RECEPTOR NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121921-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
WO-2007121923-A1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-1841768-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS Novartis AG (CH) 2007-10-10 EP disclosed
EP-1805181-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS Novartis AG (CH) 2007-07-11 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
WO-2006074925-A1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-07-20 WO disclosed
WO-2006045552-A1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2006-05-04 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 (1 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-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885POLB 1432/4885EPHX2 2731/4885

“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.