SCHEMBL358467

SCHEMBL358467

CN1CC[C@@H](NC(=O)N2CC[C@@H](N)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
USP30 Q70CQ3 2/20 0.39
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
P2RX4 Q99571 1/20 0.35
SSTR1 P30872 3/20 0.35
SSTR4 P31391 3/20 0.35
MAPK1 P28482 1/20 0.35
KDM5B Q9UGL1 1/20 0.34
EPHX2 P34913 2/20 0.34
EPHX1 P07099 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
SCHEMBL1911335 1.00 KDM4E (0.41) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL14257122 0.92 KDM4E (0.45) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL29328264 0.83 KDM4E (0.54) KDM4EALDH1A1HTTPOLBMAPK1
SCHEMBL8959413 0.83 KDM4E (0.42) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL8959410 0.81 KDM4E (0.46) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL1918845 0.80 KDM4E (0.61) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL1412099 0.80 HTT (0.46) KDM4EALDH1A1HTTPOLBMAPK1
SCHEMBL3265651 0.79 KDM4E (0.39) KDM4EALDH1A1USP30HTTPOLB
SCHEMBL18389805 0.78 KDM4E (0.50) KDM4EALDH1A1HTTPOLBP2RX4
SCHEMBL2781055 0.74 SSTR4 (0.40) SSTR1SSTR4

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 9 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
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-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 KDM4E 3873/4885ALDH1A1 166/4885USP30 3965/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885ALDH1A1 166/4885USP30 3965/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 KDM4E 3873/4885ALDH1A1 166/4885USP30 3965/4885

“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.