SCHEMBL359333

SCHEMBL359333

CN1CCC(NC(=O)Nc2cccnc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.66
POLB P06746 1/20 0.64
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
HIF1A Q16665 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTR1A P08908 1/20 0.49

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
SCHEMBL358834 1.00 EPHX2 (0.66) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL354641 1.00 EPHX2 (0.66) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL10211589 0.93 POLB (0.69) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL1912270 0.89 EPHX2 (0.59) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL14392384 0.85 EPHX2 (0.48) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL14045968 0.85 EPHX2 (0.48) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL1908655 0.84 EPHX1 (0.61) EPHX2KEAP1NFE2L2CTSLCTSB
SCHEMBL356730 0.84 CTSL (0.65) EPHX2RAB9ATSHRSMN1; SMN2DRD2
SCHEMBL4010312 0.82 EPHX2 (0.77) EPHX2POLBNPC1RAB9ATSHR
SCHEMBL10224770 0.81 ALDH1A1 (0.61) NPC1RAB9AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2007121917-A2 PURINE DERIVATIVES AS ADENOSINE RECEPTOR ACTIVATOR 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 (1 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 EPHX2 2731/4885POLB 1432/4885NPC1 154/4885

“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.