SCHEMBL339777

SCHEMBL339777

CC(=O)N1CCC(C(=O)Nc2nnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.38
SLC2A2 P11168 1/20 0.37
SLC2A1 P11166 1/20 0.37
DPP4 P27487 5/20 0.36
DPP8 Q6V1X1 4/20 0.36
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
DPP9 Q86TI2 3/20 0.36
P2RX3 P56373 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 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
SCHEMBL338577 0.91 GSK3B (0.39) EPHX2DPP4DPP8DPP9
SCHEMBL339881 0.88 GSK3B (0.36) DPP4DPP8DPP9
SCHEMBL339320 0.87 DPP4 (0.41) EPHX2SLC2A2DPP4DPP8HDAC1
SCHEMBL338950 0.78 ALDH1A1 (0.40) SLC2A2DPP4DPP8DPP9
SCHEMBL1911466 0.77 FNTA (0.40) SLC2A2SLC2A1
SCHEMBL340212 0.76 DPP4 (0.39) DPP4DPP8DPP9
SCHEMBL339703 0.75 P2RX7 (0.45) CA12CA9
SCHEMBL1911445 0.75 P2RX7 (0.38) DPP4DPP8
SCHEMBL1912414 0.75 P2RX7 (0.38) DPP4DPP8
SCHEMBL338848 0.75 P2RX7 (0.38) DPP4DPP8

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 7 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-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

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 EPHX2 3864/4885SLC2A2 27/4885SLC2A1 20/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC EPHX2 3864/4885SLC2A2 27/4885SLC2A1 20/4885

“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.