SCHEMBL339320

SCHEMBL339320

NCc1cc2nnc(NC(=O)C3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
EPHX2 P34913 2/20 0.38
SLC2A2 P11168 1/20 0.38
PTGER1 P34995 2/20 0.36
KMT2A Q03164 1/20 0.36
P2RX3 P56373 4/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
ABL1 P00519 1/20 0.34
SCN9A Q15858 2/20 0.34

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
SCHEMBL339881 0.90 GSK3B (0.36) DPP4DPP8DPP9KMT2AGSK3A
SCHEMBL338577 0.89 GSK3B (0.39) DPP4DPP8DPP9EPHX2GSK3A
SCHEMBL339777 0.87 EPHX2 (0.38) DPP4DPP8DPP9HDAC1HDAC2
SCHEMBL339710 0.85 DPP4 (0.41) DPP4DPP8DPP9HDAC1HDAC2
SCHEMBL338950 0.78 ALDH1A1 (0.40) DPP4DPP8DPP9SLC2A2LMNA
SCHEMBL339703 0.77 P2RX7 (0.45) KMT2ASCN9A
SCHEMBL1911445 0.77 P2RX7 (0.38) DPP4DPP8KMT2ALMNAHPGD
SCHEMBL1912414 0.77 P2RX7 (0.38) DPP4DPP8KMT2ALMNAHPGD
SCHEMBL338848 0.77 P2RX7 (0.38) DPP4DPP8KMT2ALMNAHPGD
SCHEMBL340212 0.76 DPP4 (0.39) DPP4DPP8DPP9HPGD

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-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
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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 (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 DPP4 120/4885DPP8 403/4885DPP9 380/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885DPP9 380/4885

“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.