Sugi Predict

Sugi Predict / Compounds / SCHEMBL339823

SCHEMBL339823

SCHEMBL339823

CCC(=O)N1CCN(c2cnc3cc(CN)c(-c4ccc(Cl)cc4Cl)cn23)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.42
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DPP4 P27487 5/20 0.39
▸ DPP8 Q6V1X1 4/20 0.39
▸ DPP9 Q86TI2 3/20 0.39
▸ AKT1 P31749 1/20 0.38
▸ GRM5 P41594 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ PTAFR P25105 1/20 0.37
▸ SLC6A15 Q9H2J7 1/20 0.37
▸ MC4R P32245 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL339494 0.91 SLC2A1 (0.43) MAPK1NPSR1DPP4DPP8DPP9
SCHEMBL339214 0.90 SLC2A2 (0.44) HTTALDH1A1NPSR1GRM5SMN1; SMN2
SCHEMBL339604 0.89 AKT1 (0.44) ALDH1A1NPSR1DPP4DPP8DPP9
SCHEMBL338966 0.89 ALDH1A1 (0.46) MAPK1HTTALDH1A1GAANPSR1
SCHEMBL340318 0.89 EPHX2 (0.43) TSHRMAPK1HTTALDH1A1NPSR1
SCHEMBL338824 0.89 DPP4 (0.37) DPP4DPP8DPP9AKT1GRM5
SCHEMBL340135 0.87 DPP4 (0.42) TSHRDPP4DPP8DPP9PTAFR
SCHEMBL1911465 0.86 IDE (0.46) MAPK1HTTALDH1A1GAANPSR1
SCHEMBL868597 0.86 MAPK1 (0.46) MAPK1HTTALDH1A1GAANPSR1
SCHEMBL338785 0.86 DPP4 (0.39) 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 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 TSHR 2009/4885MAPK1 2427/4885HTT 3260/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC TSHR 2009/4885MAPK1 2427/4885HTT 3260/4885

“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.