Sugi Predict

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SCHEMBL339324

SCHEMBL339324

CC1CN(C(=O)c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC(C)O1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ DPP4 P27487 3/20 0.38
▸ DPP8 Q6V1X1 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ DPP9 Q86TI2 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ ALOX5AP P20292 1/20 0.35
▸ FEN1 P39748 1/20 0.35
▸ LMNA P02545 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
SCHEMBL338672 0.85 DPP4 (0.49) ALDH1A1HPGDDPP4DPP8KDM4E
SCHEMBL339827 0.85 DPP4 (0.43) DPP4DPP8DPP9TSHRKMT2A
SCHEMBL339904 0.85 ALPL (0.46) ALDH1A1HPGDDPP4DPP8DPP9
SCHEMBL340135 0.84 DPP4 (0.42) DPP4DPP8DPP9TSHR
SCHEMBL339964 0.83 DPP4 (0.41) ALDH1A1HPGDDPP4DPP8DPP9
SCHEMBL339770 0.83 PIK3CA (0.44) DPP4DPP8DPP9KMT2ANPC1
SCHEMBL339105 0.83 TDP1 (0.41) ALDH1A1HPGDDPP4DPP8KDM4E
SCHEMBL340178 0.83 DPP4 (0.42) DPP4DPP8DPP9KMT2ANPC1
SCHEMBL1911458 0.83 DPP4 (0.41) HPGDDPP4DPP8DPP9KMT2A
SCHEMBL339040 0.82 DPP4 (0.53) ALDH1A1DPP4DPP8DPP9

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 ALDH1A1 480/4885HPGD 934/4885DPP4 120/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC ALDH1A1 480/4885HPGD 934/4885DPP4 120/4885

“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.