SCHEMBL340135

SCHEMBL340135

CCC(=O)N1CCN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.42
DPP8 Q6V1X1 8/20 0.42
DPP9 Q86TI2 6/20 0.40
ALPL P05186 3/20 0.39
PTAFR P25105 1/20 0.37
SLC6A15 Q9H2J7 1/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 1/20 0.36
TSHR P16473 2/20 0.36
SLC2A1 P11166 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
SCHEMBL339904 0.91 ALPL (0.46) DPP4DPP8DPP9ALPLTSHR
SCHEMBL339827 0.91 DPP4 (0.43) DPP4DPP8DPP9ALPLCNR1
SCHEMBL339484 0.89 TSHR (0.45) DPP4DPP8DPP9SLC6A15TSHR
SCHEMBL340178 0.88 DPP4 (0.42) DPP4DPP8DPP9ALPLCNR1
SCHEMBL339040 0.88 DPP4 (0.53) DPP4DPP8DPP9ALPL
SCHEMBL339823 0.87 TSHR (0.42) DPP4DPP8DPP9PTAFRSLC6A15
SCHEMBL339964 0.87 DPP4 (0.41) DPP4DPP8DPP9ALPLCNR1
SCHEMBL338672 0.87 DPP4 (0.49) DPP4DPP8DPP9ALPL
SCHEMBL339770 0.87 PIK3CA (0.44) DPP4DPP8DPP9ALPLCNR1
SCHEMBL1911458 0.86 DPP4 (0.41) DPP4DPP8DPP9ALPLCNR1

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.