SCHEMBL339214

SCHEMBL339214

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A2 P11168 3/20 0.44
GRM5 P41594 10/20 0.42
SMO Q99835 1/20 0.42
EPHX2 P34913 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
RET P07949 1/20 0.39
SLC6A15 Q9H2J7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL340318 0.92 EPHX2 (0.43) SLC2A2GRM5SMOEPHX2NPSR1
SCHEMBL339823 0.90 TSHR (0.42) GRM5NPSR1HTTSLC6A15ALDH1A1
SCHEMBL339494 0.88 SLC2A1 (0.43) SLC2A2SMONPSR1MAPTSMN1; SMN2
SCHEMBL339604 0.87 AKT1 (0.44) SMONPSR1ALDH1A1MAPT
SCHEMBL338824 0.86 DPP4 (0.37) GRM5SLC6A15
SCHEMBL338966 0.85 ALDH1A1 (0.46) SLC2A2EPHX2NPSR1HTTKDM4E
SCHEMBL1911465 0.83 IDE (0.46) SLC2A2EPHX2NPSR1HTTKDM4E
SCHEMBL868597 0.83 MAPK1 (0.46) SLC2A2NPSR1HTTKDM4EALDH1A1
SCHEMBL338785 0.83 DPP4 (0.39) KDM4EALDH1A1
SCHEMBL338907 0.83 DPP4 (0.38) SLC2A2GRM5RETSLC6A15

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 SLC2A2 27/4885GRM5 2618/4885SMO 1568/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC SLC2A2 27/4885GRM5 2618/4885SMO 1568/4885

“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.