SCHEMBL5714775

SCHEMBL5714775

Cc1cccc(CN2CCN(C(=O)Oc3ccc(CCc4ncccc4C)cc3)CC2)n1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
APP P05067 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6102660 0.92 TP53 (0.42) LMNA
SCHEMBL6102545 0.92 KDM4E (0.45) KMT2AKDM4EALDH1A1MAPTHTT
SCHEMBL5714841 0.90 SIGMAR1 (0.43)
SCHEMBL6101933 0.90 ALDH1A1 (0.56) KMT2AKDM4EALDH1A1MAPT
SCHEMBL5715385 0.88 KMT2A (0.48) KMT2AKDM4EALDH1A1LMNA
SCHEMBL6102224 0.86 KDM4E (0.56) KMT2AKDM4EALDH1A1MAPT
SCHEMBL6102707 0.85 KDM4E (0.44) KDM4EALDH1A1MAPTHTTAPP
SCHEMBL5715434 0.85 TP53 (0.42) KDM4EALDH1A1MAPTHTTLMNA
SCHEMBL6103266 0.85 KDM4E (0.44) KDM4EALDH1A1APP
SCHEMBL5713992 0.85 HSD17B10 (0.46) KDM4EALDH1A1SMN1; SMN2

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 KMT2A 1677/4885KDM4E 1090/4885ALDH1A1 1504/4885

“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.