SCHEMBL4428524

SCHEMBL4428524

CC(C)(C)OC(=O)NCC1(c2cccc(Cl)c2)CCC(=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 6/20 0.58
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
SLC6A2 P23975 1/20 0.45
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
DRD2 P14416 5/20 0.42
CTSL P07711 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
SCN9A Q15858 1/20 0.39
IDO1 P14902 1/20 0.39
CNR1 P21554 1/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL8190223 0.89 SLC6A4 (0.60) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL21158211 0.86 KCNA3 (0.59) KCNA3CNR1
SCHEMBL4433544 0.86 SLC6A4 (0.45) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4433548 0.86 SLC6A4 (0.45) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4433820 0.86 SLC6A4 (0.45) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14550037 0.86 SLC6A4 (0.45) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL8172562 0.85 DPP4 (0.46) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14550036 0.85 DPP4 (0.46) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4427211 0.85 DPP4 (0.46) KCNA3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL4431845 0.85 DPP4 (0.46) KCNA3SLC6A4SLC6A3SLC6A2KCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
US-20130012485-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-01-10 US disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 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 (1 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-20130012485-A1 ORGANIC COMPOUNDS DPP4, DPP3, DPP7 KCNA3 1364/4885SLC6A4 461/4885SLC6A3 399/4885

“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.