SCHEMBL338907

SCHEMBL338907

NCc1cc2ncc(N3CCN(C(=O)CC4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 1/20 0.38
AKR1C3 P42330 2/20 0.37
RET P07949 1/20 0.36
SLC2A2 P11168 1/20 0.36
AOC3 Q16853 1/20 0.36
MC4R P32245 1/20 0.35
AKT1 P31749 1/20 0.34
GRM5 P41594 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH1 P35367 1/20 0.34
SLC6A15 Q9H2J7 1/20 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
SCHEMBL338824 0.94 DPP4 (0.37) DPP4DPP8DPP9CNR1AKT1
SCHEMBL338734 0.90 SLC2A2 (0.46) DPP4DPP8DPP9CNR2AKR1C3
SCHEMBL1911439 0.85 MAPT (0.43) DPP4DPP8DPP9CNR2CNR1
SCHEMBL339823 0.85 TSHR (0.42) DPP4DPP8DPP9MC4RAKT1
SCHEMBL338966 0.85 ALDH1A1 (0.46) DPP4DPP8DPP9CNR1SLC2A2
SCHEMBL339127 0.84 DPP4 (0.43) DPP4DPP8DPP9CNR2SLC2A2
SCHEMBL868597 0.83 MAPK1 (0.46) DPP4DPP8DPP9CNR2CNR1
SCHEMBL1911465 0.83 IDE (0.46) DPP4DPP8DPP9CNR2CNR1
SCHEMBL338270 0.83 LMNA (0.46) KMT2A
SCHEMBL339494 0.83 SLC2A1 (0.43) DPP4DPP8DPP9SLC2A2AKT1

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 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.