SCHEMBL242088

SCHEMBL242088

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccncc2)C1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 11/20 0.68
HDAC4 P56524 3/20 0.62
HDAC6 Q9UBN7 2/20 0.62
KDM5A P29375 1/20 0.53
PARP1 P09874 1/20 0.53
GPR119 Q8TDV5 1/20 0.50
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL242087 1.00 USP30 (0.68) USP30HDAC4HDAC6KDM5APARP1
SCHEMBL6200199 0.93 USP30 (0.69) USP30HDAC4HDAC6PARP1GPR119
SCHEMBL6200204 0.93 USP30 (0.69) USP30HDAC4HDAC6PARP1GPR119
SCHEMBL28975873 0.93 HDAC4 (0.60) USP30HDAC4HDAC6PARP1GPR119
SCHEMBL994594 0.88 USP30 (0.71) USP30HDAC4HDAC6PARP1KDM4E
SCHEMBL4921150 0.88 USP30 (0.71) USP30HDAC4HDAC6PARP1KDM4E
SCHEMBL4924196 0.88 USP30 (0.71) USP30HDAC4HDAC6PARP1KDM4E
SCHEMBL27959887 0.86 USP30 (0.62) USP30HDAC4HDAC6KDM5APARP1
SCHEMBL29437052 0.86 HDAC4 (0.62) USP30HDAC4HDAC6PARP1KDM4E
SCHEMBL3720765 0.86 USP30 (0.65) USP30HDAC4HDAC6PARP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111801322-B Kinase inhibitors for the treatment of central and peripheral nervous system disorders 迈阿密大学 2024-03-15 CN 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
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-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 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.