SCHEMBL358475

SCHEMBL358475

CN1CC[C@@H](NC(=O)NCc2ccncc2)C1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.64
EPHX1 P07099 3/20 0.64
MAPT P10636 1/20 0.64
DRD4 P21917 1/20 0.50
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM5A P29375 1/20 0.45

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
SCHEMBL13242298 0.87 DRD4 (0.66) NAMPTEPHX1DRD4HPGDRAB9A
SCHEMBL359497 0.85 ALDH1A1 (0.51) NAMPTDRD4P2RX7ALDH1A1
SCHEMBL1908695 0.84 DRD4 (0.52) NAMPTEPHX1MAPTDRD4HPGD
SCHEMBL1908664 0.83 NAMPT (0.47) NAMPTEPHX1MAPT
SCHEMBL1908724 0.81 SMN1; SMN2 (0.50) NAMPTEPHX1DRD4HPGDRAB9A
SCHEMBL1908665 0.81 F2 (0.49) NAMPTEPHX1DRD4HPGDRAB9A
SCHEMBL20388982 0.80 NAMPT (0.69) NAMPT
SCHEMBL1908655 0.80 EPHX1 (0.61) NAMPTEPHX1ALDH1A1
SCHEMBL4975754 0.80 EPHX1 (0.53) NAMPTEPHX1MAPTRAB9ASMN1; SMN2
SCHEMBL360442 0.79 SSTR1 (0.53) NAMPTEPHX1DRD4HPGDRAB9A

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 22 patents — showing the first 20. 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-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
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-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-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
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 (7 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 NAMPT 2823/4885EPHX1 1079/4885MAPT 4355/4885
US-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 NAMPT 1763/4885EPHX1 1339/4885MAPT 3049/4885
US-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 NAMPT 2588/4885EPHX1 2576/4885MAPT 1870/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 NAMPT 2840/4885EPHX1 2693/4885MAPT 1867/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 NAMPT 2588/4885EPHX1 2576/4885MAPT 1870/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 NAMPT 2644/4885EPHX1 1066/4885MAPT 4032/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 NAMPT 2588/4885EPHX1 2576/4885MAPT 1870/4885

“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.