SCHEMBL4430870

SCHEMBL4430870

COC(=O)C1CC(C#N)(c2cc(F)c(F)cc2F)CCC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
RORC P51449 1/20 0.33
ADRA1D P25100 4/20 0.33
ADRA1A P35348 4/20 0.33
ADRA1B P35368 4/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HRH1 P35367 2/20 0.33
DPP4 P27487 1/20 0.31
CYP11B2 P19099 1/20 0.31
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL17542850 0.87 PSEN1 (0.52) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8356325 0.86 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1558214 0.80 RORC (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11096494 0.80 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8022068 0.79 ADRA1A (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1344288 0.79 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1557184 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL30179264 0.79 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11088958 0.78 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL11826260 0.78 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A

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 3 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

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 PSEN1 1513/4885PSEN2 1844/4885APH1B 2001/4885

“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.