SCHEMBL3241697

SCHEMBL3241697

CN(C(=O)OC(C)(C)C)c1cc(OCCc2ccc(C(C)(C)C)c(N)c2)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
ANO1 Q5XXA6 1/20 0.33
PPARG P37231 5/20 0.32
PPARA Q07869 8/20 0.32
PPARD Q03181 5/20 0.31
HDAC1 Q13547 1/20 0.30
MAOB P27338 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
SCHEMBL3246371 0.90 HDAC1 (0.35) ANO1HDAC1MAOB
SCHEMBL3244300 0.88 MAPT (0.40) PDK2ANO1PPARD
SCHEMBL3238209 0.82 PPARA (0.42) PPARGPPARAHDAC1
SCHEMBL3241695 0.78 ALOX5 (0.33)
SCHEMBL3241611 0.78 MAPT (0.38) ANO1MAOB
SCHEMBL7246421 0.76 MAOB (0.44) HDAC1MAOB
SCHEMBL1592717 0.75 ALDH1A1 (0.39) PDK2
SCHEMBL6543994 0.74 ESRRA (0.39)
SCHEMBL6543598 0.74 ESRRA (0.50)
SCHEMBL27782504 0.73 FFAR1 (0.39) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 PDK2 2752/4885ANO1 2441/4885PPARG 929/4885

“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.