Sugi Predict

Sugi Predict / Compounds / SCHEMBL5714337

SCHEMBL5714337

SCHEMBL5714337

O=C(Oc1ccc(N2C(=O)C3CCCCC3C2=O)cn1)N1CCN(CCc2nccs2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP3A4 P08684 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ USP2 O75604 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HRH2 P25021 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ CYP4F2 P78329 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33

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 0.83 THRB (0.46) ALDH1A1KMT2ACYP2D6TP53LMNA
SCHEMBL5715197 0.83 XIAP (0.37) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5714486 0.83 KDM4E (0.45) ALDH1A1KMT2APOLBHPGDL3MBTL1
SCHEMBL6099834 0.83 CYP3A4 (0.39) ALDH1A1KMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL5714922 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT
SCHEMBL5715472 0.82 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL5715004 0.81 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2TP53MAPT
SCHEMBL5714599 0.81 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL5714680 0.81 KMT2A (0.36) ALDH1A1KMT2AMEN1SMN1; SMN2CYP2D6
SCHEMBL5714981 0.81 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060160820-A1 Substituted piperazine carbamates LIPE, PNLIP, LPL ALDH1A1 1504/4885KMT2A 1677/4885MEN1 2997/4885

“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.