SCHEMBL339494

SCHEMBL339494

CC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.43
SLC2A2 P11168 2/20 0.42
CLK1 P49759 1/20 0.41
AKT1 P31749 1/20 0.41
DPP4 P27487 7/20 0.40
DPP8 Q6V1X1 6/20 0.40
DPP9 Q86TI2 4/20 0.40
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP11B2 P19099 1/20 0.38
ENPP2 Q13822 1/20 0.36
SMO Q99835 1/20 0.36

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
SCHEMBL1911466 0.93 FNTA (0.40) SLC2A1SLC2A2CLK1AKT1NPSR1
SCHEMBL339604 0.91 AKT1 (0.44) AKT1DPP4DPP8DPP9NPSR1
SCHEMBL339823 0.91 TSHR (0.42) AKT1DPP4DPP8DPP9NPSR1
SCHEMBL338966 0.89 ALDH1A1 (0.46) SLC2A2AKT1DPP4DPP8DPP9
SCHEMBL339214 0.88 SLC2A2 (0.44) SLC2A2NPSR1MAPTSMN1; SMN2SMO
SCHEMBL868597 0.87 MAPK1 (0.46) SLC2A2DPP4DPP8DPP9NPSR1
SCHEMBL1911465 0.87 IDE (0.46) SLC2A2AKT1DPP4DPP8DPP9
SCHEMBL338785 0.87 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL340318 0.87 EPHX2 (0.43) SLC2A2DPP4NPSR1MAPTLMNA
SCHEMBL339827 0.87 DPP4 (0.43) SLC2A1SLC2A2DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US 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 (2 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC SLC2A1 20/4885SLC2A2 27/4885CLK1 4077/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC SLC2A1 20/4885SLC2A2 27/4885CLK1 4077/4885

“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.