SCHEMBL869288

SCHEMBL869288

NCc1cc2ncc(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.44
DPP8 Q6V1X1 3/20 0.44
DPP9 Q86TI2 2/20 0.44
ALPL P05186 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.37
F10 P00742 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL338672 0.93 DPP4 (0.49) DPP4DPP8DPP9ALPLNPC1
SCHEMBL1911439 0.88 MAPT (0.43) DPP4DPP8DPP9ALPLNPC1
SCHEMBL340135 0.86 DPP4 (0.42) DPP4DPP8DPP9ALPLCNR1
SCHEMBL340180 0.84 DPP4 (0.46) DPP4DPP8DPP9ALPLNPC1
SCHEMBL339904 0.84 ALPL (0.46) DPP4DPP8DPP9ALPLNPC1
SCHEMBL339827 0.84 DPP4 (0.43) DPP4DPP8DPP9ALPLNPC1
SCHEMBL339770 0.82 PIK3CA (0.44) DPP4DPP8DPP9ALPLNPC1
SCHEMBL339964 0.82 DPP4 (0.41) DPP4DPP8DPP9ALPLNPC1
SCHEMBL340178 0.81 DPP4 (0.42) DPP4DPP8DPP9ALPLNPC1
SCHEMBL1911458 0.81 DPP4 (0.41) DPP4DPP8DPP9ALPLNPC1

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-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-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.