SCHEMBL338672

SCHEMBL338672

NCc1cc2ncc(C(=O)N3CCOCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.49
DPP8 Q6V1X1 4/20 0.49
DPP9 Q86TI2 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
ALPL P05186 1/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.45
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL869288 0.93 DPP4 (0.44) DPP4DPP8DPP9SMN1; SMN2NPC1
SCHEMBL340180 0.91 DPP4 (0.46) DPP4DPP8DPP9SMN1; SMN2NPC1
SCHEMBL339964 0.89 DPP4 (0.41) DPP4DPP8DPP9SMN1; SMN2NPC1
SCHEMBL339827 0.89 DPP4 (0.43) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL339904 0.89 ALPL (0.46) DPP4DPP8DPP9SMN1; SMN2NPC1
SCHEMBL339770 0.89 PIK3CA (0.44) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL1911458 0.88 DPP4 (0.41) DPP4DPP8DPP9SMN1; SMN2NPC1
SCHEMBL340135 0.87 DPP4 (0.42) DPP4DPP8DPP9ALPL
SCHEMBL340178 0.86 DPP4 (0.42) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL340261 0.86 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AHPGDTP53

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.