SCHEMBL2797701

SCHEMBL2797701

COC(=O)c1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ GPR119 Q8TDV5 8/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTT P42858 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ EPHX1 P07099 1/20 0.46
▸ DNMT3A Q9Y6K1 1/20 0.46

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
SCHEMBL8265691 0.97 GPR119 (0.56) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL7381166 0.87 ALDH1A1 (0.69) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2793493 0.87 GPR119 (0.57) ALDH1A1GPR119SMN1; SMN2MAPTKMT2A
SCHEMBL1857852 0.86 GPR119 (0.53) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL4139902 0.86 DNMT3A (0.56) ALDH1A1GPR119MAPTKMT2AMEN1
SCHEMBL5013239 0.86 ALDH1A1 (0.51) ALDH1A1GPR119SMN1; SMN2MAPTKMT2A
SCHEMBL652849 0.86 HTT (0.57) ALDH1A1GPR119SMN1; SMN2MAPTKMT2A
SCHEMBL616004 0.85 STS (0.60) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL8310166 0.84 ALDH1A1 (0.65) ALDH1A1GPR119SMN1; SMN2MAPTLMNA
SCHEMBL2893082 0.84 DRD4 (0.52) ALDH1A1SMN1; SMN2LMNAHDAC1KMT2A

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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2010-07-01 — — US disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 — — US disclosed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 — — 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 (2 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-20100168421-A1 A NEW PEPTIDE DEFORMYLASE INHIBITOR COMPOUND AND MANUFACTURING PROCESS THEREOF PDF, PEPD, DPEP1 ALDH1A1 3114/4885GPR119 4026/4885SMN1; SMN2 2733/4885
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD ALDH1A1 1303/4885GPR119 1238/4885SMN1; SMN2 3076/4885

“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.

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