SCHEMBL1908655

SCHEMBL1908655

CN1CC[C@@H](NC(=O)Nc2ccncc2)C1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.61
NAMPT P43490 2/20 0.55
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSS P25774 1/20 0.49
CTSC P53634 1/20 0.49
MDM2 Q00987 1/20 0.49
EPHX2 P34913 4/20 0.48
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
ALDH1A1 P00352 1/20 0.48
USP30 Q70CQ3 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 3/20 0.46
RECQL P46063 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
SCHEMBL356730 0.86 CTSL (0.65) EPHX1CTSLCTSBCTSSCTSC
SCHEMBL1911231 0.84 EPHX2 (0.62) EPHX1CTSLCTSBCTSSCTSC
SCHEMBL358834 0.84 EPHX2 (0.66) NAMPTCTSLCTSBCTSSCTSC
SCHEMBL354641 0.84 EPHX2 (0.66) NAMPTCTSLCTSBCTSSCTSC
SCHEMBL359333 0.84 EPHX2 (0.66) NAMPTCTSLCTSBCTSSCTSC
SCHEMBL24381758 0.83 MEN1 (0.67) EPHX1CTSLCTSBCTSSCTSC
SCHEMBL1911244 0.81 SIGMAR1 (0.61) CTSLCTSBCTSSCTSCEPHX2
SCHEMBL359516 0.81 SIGMAR1 (0.61) CTSLCTSBCTSSCTSCEPHX2
SCHEMBL4012735 0.81 EPHX2 (0.70) EPHX1EPHX2
SCHEMBL359016 0.80 EPHX1 (0.64) EPHX1CTSLCTSBCTSSCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 US 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
EP-2012759-B1 PURINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-03-10 EP disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 US disclosed
US-20090099214-A1 Organic Compounds NOVARTIS AG 2009-04-16 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
EP-1841768-B1 PURINE DERIVATIVES ACTING AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2008-11-12 EP 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
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 US disclosed
WO-2007121921-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-20090093633-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 EPHX1 1339/4885NAMPT 1763/4885CTSL 1974/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 EPHX1 1169/4885NAMPT 798/4885CTSL 3241/4885
US-20090099214-A1 Organic Compounds CYP3A43, OXER1, OPRM1 EPHX1 2999/4885NAMPT 3332/4885CTSL 1144/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 EPHX1 2576/4885NAMPT 2588/4885CTSL 1016/4885
US-20080207648-A1 Organic Compounds ADORA2A, ADORA1, ADORA3 EPHX1 1066/4885NAMPT 2644/4885CTSL 4051/4885

“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.