Sugi Predict

Sugi Predict / Compounds / SCHEMBL338785

SCHEMBL338785

SCHEMBL338785

CN1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 7/20 0.39
▸ DPP8 Q6V1X1 4/20 0.39
▸ POLB P06746 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PAK4 O96013 1/20 0.37
▸ PAK1 Q13153 1/20 0.37
▸ PKN1 Q16512 1/20 0.37
▸ HTR7 P34969 2/20 0.37
▸ HTR6 P50406 2/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HRH4 Q9H3N8 3/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ NCF1 P14598 1/20 0.36
▸ KCNK2 O95069 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ HSD11B1 P28845 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL340151 0.91 NCF1 (0.36) DPP4DPP8POLBCNR1KCNH2
SCHEMBL338770 0.91 HTR1A (0.38) POLBCNR1KCNH2HTR7HTR6
SCHEMBL339768 0.91 ACVR1 (0.36) DPP4DPP8CNR1KCNH2PAK4
SCHEMBL340037 0.90 DPP4 (0.39) DPP4DPP8CNR1KDM4EALDH1A1
SCHEMBL1911442 0.88 DPP4 (0.34) DPP4DPP8DPP9
SCHEMBL339424 0.88 DPP4 (0.43) DPP4DPP8PAK4PAK1PKN1
SCHEMBL339127 0.88 DPP4 (0.43) DPP4DPP8KDM4EALDH1A1DPP9
SCHEMBL339235 0.88 DPP4 (0.43) DPP4DPP8POLBDPP9
SCHEMBL339494 0.87 SLC2A1 (0.43) DPP4DPP8DPP9
SCHEMBL1911441 0.86 DPP4 (0.33) DPP4DPP8DPP9

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 10 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
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 — — WO 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 403/4885POLB 1417/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885DPP8 403/4885POLB 1417/4885

“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.