Sugi Predict

Sugi Predict / Compounds / SCHEMBL5715161

SCHEMBL5715161

SCHEMBL5715161

O=C(Oc1ccc(N2C(=O)C3CCCCC3C2=O)cn1)N1CCN(Cc2ccncn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ LIPE Q05469 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
SCHEMBL5714711 0.88 KDM4E (0.48) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL5714590 0.88 MGLL (0.37) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL5715255 0.85 ALDH1A1 (0.40) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL5714634 0.84 KDM4E (0.47) ALDH1A1MAPTLMNAPOLBKMT2A
SCHEMBL5714225 0.82 KMT2A (0.43) ALDH1A1MAPTSMN1; SMN2LMNAPOLB
SCHEMBL5714957 0.82 KDM4E (0.37) ALDH1A1LMNAKDM4ECYP3A4CYP2C9
SCHEMBL5715222 0.80 THRB (0.46) ALDH1A1LMNAKMT2AKDM4EL3MBTL1
SCHEMBL5714486 0.79 KDM4E (0.45) ALDH1A1POLBHPGDKMT2AKDM4E
SCHEMBL5714854 0.78 THRB (0.41) ALDH1A1KMT2AKDM4EL3MBTL1CYP2D6
SCHEMBL5715472 0.78 ALDH1A1 (0.36) ALDH1A1MAPTSMN1; SMN2LMNAPOLB

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 1504/4885MAPT 4348/4885SMN1; SMN2 3125/4885

“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.