SCHEMBL1908716

SCHEMBL1908716

CCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C)C3)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.54
HRH3 Q9Y5N1 2/20 0.52
P2RY12 Q9H244 2/20 0.52
OGA O60502 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SGPL1 O95470 1/20 0.43
HPGDS O60760 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1908731 0.85 HRH3 (0.48) USP30HRH3ALDH1A1LMNAMAPT
SCHEMBL14018303 0.84 HRH3 (0.56) USP30HRH3P2RY12OGAKDM4E
SCHEMBL6140015 0.81 CKS1B (0.56) USP30HRH3P2RY12OGAMAPT
SCHEMBL9210857 0.79 P2RY12 (0.65) HRH3P2RY12OGAKDM4EALDH1A1
SCHEMBL6945090 0.79 HRH3 (0.59) USP30HRH3P2RY12OGAKDM4E
SCHEMBL591858 0.78 HRH3 (0.61) USP30HRH3P2RY12OGAKDM4E
SCHEMBL590388 0.78 HRH3 (0.52) USP30HRH3P2RY12OGAKDM4E
SCHEMBL13449703 0.77 HRH3 (0.47) USP30HRH3ALDH1A1LMNAMAPT
SCHEMBL2820792 0.77 P2RY12 (0.64) HRH3P2RY12OGAKDM4EALDH1A1
SCHEMBL590676 0.76 HRH3 (0.59) USP30HRH3P2RY12OGAKDM4E

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
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
US-8114877-B2 Antiinflammatory agnets; chronic obstructive pulmonary diseases NOVARTIS AG (CH) 2012-02-14 US disclosed
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP 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-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 US disclosed
US-20090093633-A1 Organic Compounds NOVARTIS AG 2009-04-09 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
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 US disclosed
US-20080207648-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-28 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

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

For each of this compound's patents that has machine-readable text (4 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 3834/4885HRH3 186/4885P2RY12 135/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 USP30 4624/4885HRH3 628/4885P2RY12 154/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 USP30 3841/4885HRH3 778/4885P2RY12 1929/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 USP30 4498/4885HRH3 318/4885P2RY12 216/4885

“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.