SCHEMBL338976

SCHEMBL338976

NCc1c(-c2ccc(Cl)cc2Cl)cn2ccnc2c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.47
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
AR P10275 1/20 0.40
DPP8 Q6V1X1 7/20 0.40
DPP9 Q86TI2 3/20 0.40
CRHR1 P34998 1/20 0.38
CNR2 P34972 1/20 0.36
PIK3R1 P27986 2/20 0.36
PIK3CA P42336 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 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
SCHEMBL339630 0.92 DPP4 (0.44) DPP4DPP8DPP9
SCHEMBL338674 0.91 DPP4 (0.43) DPP4DPP8DPP9CNR2
SCHEMBL340316 0.81 DPP4 (0.48) DPP4DPP8DPP9
SCHEMBL340211 0.79 DPP4 (0.49) DPP4DPP8DPP9
SCHEMBL339769 0.78 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL339164 0.77 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL340317 0.75 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL339649 0.75 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL340315 0.74 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL339025 0.74 DPP4 (0.48) DPP4NPC1RAB9AARDPP8

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 120/4885NPC1 605/4885RAB9A 4708/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885NPC1 605/4885RAB9A 4708/4885

“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.