SCHEMBL357880

SCHEMBL357880

CN1CC[C@@H](NC(=O)c2ccc(N3CCOCC3)nc2)C1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 9/20 0.72
HPGDS O60760 3/20 0.65
HTR2A P28223 4/20 0.54
DRD3 P35462 4/20 0.54
DRD2 P14416 3/20 0.54
ALDH1A1 P00352 2/20 0.53
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL18115830 0.84 USP30 (1.00) USP30HPGDS
SCHEMBL18115827 0.84 USP30 (1.00) USP30HPGDS
SCHEMBL1908731 0.79 HRH3 (0.48) USP30HPGDSALDH1A1MAPT
SCHEMBL7679197 0.78 ALDH1A1 (0.66) USP30HPGDSALDH1A1CYP1A2MAPT
SCHEMBL13449703 0.77 HRH3 (0.47) USP30HPGDSALDH1A1MAPT
SCHEMBL3801840 0.76 PRMT5 (0.61) USP30HPGDSHTR2ADRD3DRD2
SCHEMBL13360509 0.76 ALDH1A1 (0.66) USP30HPGDSALDH1A1CYP1A2MAPT
SCHEMBL4930304 0.76 ALDH1A1 (0.66) USP30HPGDSALDH1A1CYP1A2MAPT
SCHEMBL2570318 0.76 ALDH1A1 (0.66) USP30HPGDSALDH1A1CYP1A2MAPT
SCHEMBL2456362 0.75 USP30 (0.60) USP30HPGDSHTR2ADRD3DRD2

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 18 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
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
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 USP30 3834/4885HPGDS 1420/4885HTR2A 109/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HPGDS 3435/4885HTR2A 1769/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 USP30 3841/4885HPGDS 3773/4885HTR2A 1663/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HPGDS 3435/4885HTR2A 1769/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HPGDS 3435/4885HTR2A 1769/4885

“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.