SCHEMBL338580

SCHEMBL338580

CCOC(=O)C1CCCCN1c1cnc2cc(CN)c(-c3ccc(Cl)cc3Cl)cn12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
DPP4 P27487 4/20 0.38
DPP8 Q6V1X1 4/20 0.38
DPP9 Q86TI2 3/20 0.37
F2 P00734 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
CRHR1 P34998 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL339389 0.85 ALDH1A1 (0.45) TSHRDPP4DPP8DPP9KDM4E
SCHEMBL339080 0.84 ALDH1A1 (0.49) TSHRMAPK1KDM4EALDH1A1MEN1
SCHEMBL340037 0.77 DPP4 (0.39) DPP4DPP8DPP9KDM4EALDH1A1
SCHEMBL868597 0.77 MAPK1 (0.46) MAPK1DPP4DPP8DPP9KDM4E
SCHEMBL1911465 0.75 IDE (0.46) MAPK1DPP4DPP8DPP9KDM4E
SCHEMBL339484 0.75 TSHR (0.45) TSHRDPP4DPP8DPP9KDM4E
SCHEMBL338966 0.75 ALDH1A1 (0.46) MAPK1DPP4DPP8DPP9KDM4E
SCHEMBL339823 0.75 TSHR (0.42) TSHRMAPK1DPP4DPP8DPP9
SCHEMBL339604 0.75 AKT1 (0.44) DPP4DPP8DPP9ALDH1A1MAPT
SCHEMBL339494 0.74 SLC2A1 (0.43) MAPK1DPP4DPP8DPP9MAPT

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 2427/4885RECQL 3068/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC TSHR 2009/4885MAPK1 2427/4885RECQL 3068/4885

“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.