SCHEMBL339388

SCHEMBL339388

CC(C)COc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(N3CCOCC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.43
DPP8 Q6V1X1 10/20 0.41
DPP9 Q86TI2 6/20 0.41
CRHR1 P34998 1/20 0.39
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AR P10275 1/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 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
SCHEMBL339289 0.89 DPP4 (0.46) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL339822 0.86 CNR2 (0.45) DPP4DPP8DPP9CNR2
SCHEMBL339025 0.85 DPP4 (0.48) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL339891 0.85 DPP4 (0.39) DPP4DPP8DPP9ARMEN1
SCHEMBL339832 0.84 DPP4 (0.49) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL338673 0.84 DPP4 (0.43) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL339017 0.84 DPP4 (0.48) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL339960 0.83 DPP4 (0.44) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL339026 0.82 DPP4 (0.46) DPP4DPP8DPP9CRHR1NPC1
SCHEMBL338627 0.82 DPP4 (0.45) DPP4DPP8DPP9CRHR1NPC1

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.