SCHEMBL338734

SCHEMBL338734

NCc1cc2ncc(N3CCN(C(=O)C4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC2A2 P11168 3/20 0.46
CNR2 P34972 2/20 0.44
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
DPP9 Q86TI2 2/20 0.40
EPHX2 P34913 2/20 0.39
IDE P14735 1/20 0.39
AKR1C3 P42330 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKT1 P31749 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
SCHEMBL338966 0.94 ALDH1A1 (0.46) SLC2A2ALDH1A1DPP4DPP8DPP9
SCHEMBL1911465 0.92 IDE (0.46) SLC2A2CNR2ALDH1A1DPP4DPP8
SCHEMBL868597 0.92 MAPK1 (0.46) SLC2A2CNR2ALDH1A1DPP4DPP8
SCHEMBL338907 0.90 DPP4 (0.38) SLC2A2CNR2DPP4DPP8DPP9
SCHEMBL1911466 0.89 FNTA (0.40) SLC2A2ALDH1A1IDEMAPK1KMT2A
SCHEMBL338270 0.87 LMNA (0.46) ALDH1A1EPHX2MAPK1KMT2AKDM4E
SCHEMBL339127 0.86 DPP4 (0.43) SLC2A2CNR2ALDH1A1DPP4DPP8
SCHEMBL339494 0.85 SLC2A1 (0.43) SLC2A2DPP4DPP8DPP9MAPK1
SCHEMBL338824 0.85 DPP4 (0.37) DPP4DPP8DPP9KMT2AAKT1
SCHEMBL1911439 0.84 MAPT (0.43) CNR2ALDH1A1DPP4DPP8DPP9

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 SLC2A2 27/4885CNR2 2213/4885ALDH1A1 480/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC SLC2A2 27/4885CNR2 2213/4885ALDH1A1 480/4885

“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.