SCHEMBL3246371

SCHEMBL3246371

CN(C(=O)OC(C)(C)C)c1cc(OCc2ccc(C(C)(C)C)c(N)c2)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
RXRA P19793 3/20 0.34
NR4A2 P43354 2/20 0.34
RXRB P28702 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A3 Q92570 1/20 0.34
NR1H2 P55055 3/20 0.34
NR1H3 Q13133 3/20 0.34
MRGPRX4 Q96LA9 2/20 0.34
ANO1 Q5XXA6 1/20 0.34
FFAR1 O14842 3/20 0.33
ALOX5 P09917 2/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32
PTPN1 P18031 1/20 0.32

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
SCHEMBL3241697 0.90 PDK2 (0.34) HDAC1ANO1MAOB
SCHEMBL3241611 0.87 MAPT (0.38) ANO1MAOBMAOA
SCHEMBL7246421 0.84 MAOB (0.44) HDAC1NR4A2NR4A1NR4A3ALOX5
SCHEMBL3241695 0.80 ALOX5 (0.33) ALOX5
SCHEMBL3244300 0.78 MAPT (0.40) ANO1
SCHEMBL1592717 0.76 ALDH1A1 (0.39)
SCHEMBL6543598 0.76 ESRRA (0.50)
SCHEMBL30791439 0.76 MAOB (0.44) HDAC1NR4A2NR4A1NR4A3ALOX5
SCHEMBL6543994 0.76 ESRRA (0.39) NR4A1ALOX5
SCHEMBL6544813 0.75 ALDH1A1 (0.39)

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 HDAC1 90/4885RXRA 1912/4885NR4A2 1779/4885

“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.