SCHEMBL339876

SCHEMBL339876

NCc1cc2ncc(C(=O)NC3CCCOC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
CNR1 P21554 13/20 0.40
CNR2 P34972 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
DNM1L O00429 1/20 0.36
TGFBR1 P36897 1/20 0.36
SLC2A2 P11168 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
SCHEMBL338817 0.90 DPP4 (0.52) DPP4DPP8DPP9CNR1CNR2
SCHEMBL339820 0.81 CNR1 (0.49) DPP4DPP8DPP9CNR1CNR2
SCHEMBL338672 0.77 DPP4 (0.49) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL868834 0.77 DPP4 (0.39) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL338911 0.77 DPP4 (0.40) DPP4DPP8DPP9CNR1NPC1
SCHEMBL338895 0.76 JAK2 (0.45) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL338620 0.75 ADORA2A (0.41) DPP4DPP8DPP9TGFBR1SLC2A2
SCHEMBL339710 0.75 DPP4 (0.41) DPP4DPP8DPP9SLC2A2
SCHEMBL339324 0.74 ALDH1A1 (0.39) DPP4DPP8DPP9NPC1RAB9A
SCHEMBL340001 0.74 NPC1 (0.50) NPC1RAB9A

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 8 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

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.