SCHEMBL5714711

SCHEMBL5714711

O=C(Oc1ccc(N2C(=O)C3CCCCC3C2=O)cn1)N1CCN(Cc2ccccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 9/20 0.48
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5715222 0.91 THRB (0.46) KDM4EALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL5714854 0.90 THRB (0.41) KDM4EALDH1A1L3MBTL1KMT2ACYP2D6
SCHEMBL5714590 0.89 MGLL (0.37) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL5715161 0.88 ALDH1A1 (0.37) KDM4EALDH1A1L3MBTL1MAPTMAPK1
SCHEMBL5714225 0.87 KMT2A (0.43) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL5715255 0.86 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1MAPTSMN1; SMN2
SCHEMBL5714634 0.85 KDM4E (0.47) KDM4EALDH1A1L3MBTL1MAPTLMNA
SCHEMBL5715090 0.84 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1MAPTTSHR
SCHEMBL5713903 0.82 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1MAPTTSHR
SCHEMBL5714200 0.80 KCNH2 (0.39) KDM4EALDH1A1L3MBTL1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US claimed
JP-2006527212-A 2006-11-30 JP claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof WYETH (US) 2006-12-07 US disclosed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 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-20060160820-A1 Substituted piperazine carbamates LIPE, PNLIP, LPL KDM4E 1090/4885ALDH1A1 1504/4885L3MBTL1 3141/4885
US-20060276464-A1 Diarylsulfone sulfonamides and use thereof SFRP1, SOS1, FZD7 KDM4E 3044/4885ALDH1A1 1865/4885L3MBTL1 4156/4885

“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.