SCHEMBL2888808

SCHEMBL2888808

O=C(O)N1CCC(NC(=O)n2ccnc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
CYP46A1 Q9Y6A2 2/20 0.38
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
EPHX2 P34913 3/20 0.36
HTT P42858 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
CD38 P28907 2/20 0.35
DPP7 Q9UHL4 1/20 0.34
KMT2A Q03164 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
SCHEMBL4618461 0.92 KDM5A (0.38) EPHX1CYP46A1FAAHMGLL
SCHEMBL6103827 0.92 KDM5A (0.38) EPHX1CYP46A1FAAHMGLL
SCHEMBL1934143 0.86 CD38 (0.39) HTTCD38
SCHEMBL4618043 0.83 KMT2A (0.39) FAAHMGLLEPHX2HTTKMT2A
SCHEMBL6102108 0.83 KMT2A (0.39) FAAHMGLLEPHX2HTTKMT2A
SCHEMBL1425379 0.83 CD38 (0.43) EPHX1HTTCD38
SCHEMBL11878058 0.83 CD38 (0.46) EPHX1EPHX2HTTCD38
SCHEMBL10969412 0.81 HTT (0.47) EPHX1EPHX2HTTCD38
SCHEMBL4796529 0.81 EPHX1 (0.55) EPHX1EPHX2HTTKMT2A
SCHEMBL12018143 0.80 EPHX2 (0.44) CYP46A1EPHX2CD38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101472925-B As adenosine A2APurine derivatives of receptor agonists NOVARTIS AG 2012-06-13 CN disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
CN-101472925-A As adenosine A2APurine derivatives of receptor agonists NOVARTIS AG (CH) 2009-07-01 CN disclosed
EP-2013211-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-14 EP disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885CYP46A1 159/4885FAAH 3565/4885

“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.