SCHEMBL6103266

SCHEMBL6103266

Cc1cccnc1CCc1ccc(OC(=O)N2CCN(Cc3ccncn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
APP P05067 1/20 0.42
MGLL Q99685 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
THRB P10828 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
SCHEMBL5715020 0.92 KDM4E (0.45) KDM4EALDH1A1MGLLCYP1A2CYP3A4
SCHEMBL6101933 0.90 ALDH1A1 (0.56) KDM4EALDH1A1
SCHEMBL6102707 0.87 KDM4E (0.44) KDM4EALDH1A1APPMGLLCYP1A2
SCHEMBL5714775 0.85 KMT2A (0.44) KDM4EALDH1A1APP
SCHEMBL6102650 0.85 KDM4E (0.55) KDM4EALDH1A1
SCHEMBL5714942 0.85 KDM4E (0.44) KDM4EALDH1A1APPMGLL
SCHEMBL5714785 0.84 KDM4E (0.39) KDM4EALDH1A1THRB
SCHEMBL6099837 0.84 KDM4E (0.44) KDM4EALDH1A1MGLLCYP1A2CYP3A4
SCHEMBL6102884 0.83 KDM4E (0.42) KDM4EALDH1A1MGLLCYP1A2CYP3A4
SCHEMBL5715470 0.83 AOC3 (0.42) KDM4EALDH1A1MGLLCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US 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 KDM4E 1090/4885ALDH1A1 1504/4885APP 3216/4885

“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.