SCHEMBL356346

SCHEMBL356346

CN1CC[C@@H](NC(=O)c2ccncc2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.56
HDAC4 P56524 4/20 0.55
HDAC6 Q9UBN7 4/20 0.55
HDAC1 Q13547 1/20 0.55
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
KDM5A P29375 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
MMP2 P08253 1/20 0.50
ANPEP P15144 1/20 0.50
ROCK2 O75116 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
CD38 P28907 1/20 0.47
SSTR4 P31391 2/20 0.46
CARM1 Q86X55 1/20 0.46

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
SCHEMBL10223154 1.00 USP30 (0.56) USP30HDAC4HDAC6HDAC1KDM4E
SCHEMBL18230112 1.00 USP30 (0.56) USP30HDAC4HDAC6HDAC1KDM4E
SCHEMBL10274561 0.85 CTSL (0.63) HDAC4HDAC6HDAC1CTSLCTSB
SCHEMBL358264 0.85 CTSL (0.63) HDAC4HDAC6HDAC1CTSLCTSB
SCHEMBL357738 0.85 ALDH1A1 (0.61) HDAC4HDAC6HDAC1GAAKDM5A
SCHEMBL10224770 0.85 ALDH1A1 (0.61) HDAC4HDAC6HDAC1GAAKDM5A
SCHEMBL17888351 0.84 NPC1 (0.60) HDAC4HDAC6HDAC1CTSBCTSK
SCHEMBL15134840 0.82 MEN1 (0.62) HDAC4HDAC6HDAC1KDM5AMMP2
SCHEMBL17886699 0.81 MEN1 (0.61) HDAC4HDAC6HDAC1GAACHRNB2
SCHEMBL5223393 0.81 KDM5A (0.57) USP30KDM4EGAAKDM5AMMP2

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-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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

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 3834/4885HDAC4 3958/4885HDAC6 4010/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HDAC4 2282/4885HDAC6 1004/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 USP30 3841/4885HDAC4 1878/4885HDAC6 1093/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HDAC4 2282/4885HDAC6 1004/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 USP30 3965/4885HDAC4 2282/4885HDAC6 1004/4885

“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.