SCHEMBL4429927

SCHEMBL4429927

COC(=O)C1CC(C#N)(c2cccc(C)c2)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.39
HDAC4 P56524 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
KMT2A Q03164 2/20 0.36
PDE4B Q07343 4/20 0.35
PDE4A P27815 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
ABHD10 Q9NUJ1 1/20 0.35
ATM Q13315 1/20 0.35
EGFR P00533 1/20 0.35
PRKACA P17612 1/20 0.35
FRK P42685 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 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
SCHEMBL11076769 0.88 KMT2A (0.50) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL30179264 0.88 PSEN1 (0.44) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL4432445 0.88 PSEN1 (0.42) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL1557184 0.88 PSEN1 (0.44) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL735539 0.87 MEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11094627 0.86 OPRM1 (0.40) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3516451 0.83 OPRM1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3522150 0.82 SLC6A4 (0.54) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL11091127 0.82 PDE4B (0.54) KMT2APDE4BPDE4APDE4CPDE4D
SCHEMBL1558214 0.81 RORC (0.45) CCR2PSEN1PSEN2APH1BNCSTN

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
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
EP-0599732-B1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR (FR) 1997-03-12 EP disclosed
US-5403953-A Antiarthritic and -inflammatory agents ADIR ET COMPAGNIE (FR) 1995-04-04 US disclosed
EP-0599732-A1 Derivatives of 1-phenylbicyclo-2,2,2-octane, their preparation process and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1994-06-01 EP 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 CCR2 1272/4885HDAC4 560/4885PSEN1 1513/4885

“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.