SCHEMBL340037

SCHEMBL340037

NCc1cc2ncc(N3CCCCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.39
DPP8 Q6V1X1 7/20 0.38
DPP9 Q86TI2 2/20 0.38
CRHR1 P34998 1/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 2/20 0.35
CHKA P35790 1/20 0.35

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
SCHEMBL338785 0.90 DPP4 (0.39) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL339235 0.90 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL339127 0.90 DPP4 (0.43) DPP4DPP8DPP9CRHR1KDM4E
SCHEMBL339424 0.90 DPP4 (0.43) DPP4DPP8
SCHEMBL1911442 0.89 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL1911441 0.89 DPP4 (0.33) DPP4DPP8DPP9
SCHEMBL339494 0.86 SLC2A1 (0.43) DPP4DPP8DPP9NPSR1LMNA
SCHEMBL338682 0.86 NPY1R (0.39) DPP4DPP8DPP9
SCHEMBL868597 0.85 MAPK1 (0.46) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL1911465 0.85 IDE (0.46) DPP4DPP8DPP9KDM4EALDH1A1

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.