SCHEMBL357376

SCHEMBL357376

CCNC(=O)N[C@@H]1CCN(C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
EPHX2 P34913 3/20 0.41
EPHX1 P07099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SSTR4 P31391 4/20 0.40
SSTR1 P30872 3/20 0.40
KDM1A O60341 1/20 0.39
MAOB P27338 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
SCHEMBL13242296 1.00 MTNR1A (0.45) MTNR1AMTNR1BKDM5BEPHX2EPHX1
SCHEMBL13102977 0.89 KEAP1 (0.48) EPHX2EPHX1KDM4EALDH1A1KEAP1
SCHEMBL12385884 0.85 EPHX1 (0.42) MTNR1AMTNR1BKDM5BEPHX2EPHX1
SCHEMBL13117038 0.81 EPHX1 (0.46) MTNR1AMTNR1BKDM5BEPHX2EPHX1
SCHEMBL1911222 0.81 EPHX2 (0.51) EPHX2KDM4ESSTR4SSTR1
SCHEMBL13804064 0.80 MTNR1A (0.42) MTNR1AMTNR1BEPHX2EPHX1SSTR4
SCHEMBL18361889 0.79 MTNR1A (0.43) MTNR1AMTNR1BEPHX2ALDH1A1SSTR4
SCHEMBL12162611 0.79 MTNR1A (0.43) MTNR1AMTNR1BEPHX2ALDH1A1SSTR4
SCHEMBL358907 0.79 MTNR1A (0.43) MTNR1AMTNR1BEPHX2ALDH1A1SSTR4
SCHEMBL18330360 0.78 SSTR4 (0.39) EPHX2ALDH1A1SSTR4SSTR1

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-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US 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-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 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 (3 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 MTNR1A 2281/4885MTNR1B 1999/4885KDM5B 4457/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885KDM5B 4457/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MTNR1A 2281/4885MTNR1B 1999/4885KDM5B 4457/4885

“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.