SCHEMBL6101307

SCHEMBL6101307

CC1(C)CC(=O)N(c2ccc(OC(=O)N3CCN(Cc4cccnc4)CC3)nc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 5/20 0.44
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA4 P43681 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
TACR3 P29371 1/20 0.38

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
SCHEMBL6102575 0.91 HTR1A (0.39) KDM4EALDH1A1POLBDRD2
SCHEMBL6103020 0.90 KDM4E (0.45) KDM4EALDH1A1DRD4DRD3
SCHEMBL5652466 0.88 KDM4E (0.48) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL5713966 0.86 MGLL (0.41) KDM4EALDH1A1POLBDRD2DRD4
SCHEMBL5714582 0.86 KDM4E (0.43) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL5713903 0.85 ALDH1A1 (0.51) KDM4EALDH1A1POLBLMNAGFER
SCHEMBL5714957 0.84 KDM4E (0.37) KDM4EALDH1A1LMNAGFERDRD2
SCHEMBL5714634 0.82 KDM4E (0.47) KDM4EALDH1A1TDP1POLBLMNA
SCHEMBL5714886 0.81 EGLN1 (0.40) KDM4EALDH1A1LMNA
SCHEMBL5715300 0.81 HTR1A (0.40) KDM4EALDH1A1POLBDRD2

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 1504/4885TDP1 2210/4885

“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.