SCHEMBL5715375

SCHEMBL5715375

CC1(C)CC(=O)N(CCc2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
MGLL Q99685 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL5715404 0.91 KDM4E (0.36) THRBPOLBFAAHALDH1A1KDM4E
SCHEMBL5714929 0.88 KDM4E (0.51) MGLLALDH1A1KDM4E
SCHEMBL5714777 0.88 MGLL (0.40) THRBMGLLCYP1A2CYP3A4CYP2C9
SCHEMBL5714251 0.84 MGLL (0.39) MGLLFAAHALDH1A1KDM4E
SCHEMBL5714617 0.83 KDM4E (0.47) MGLLCYP1A2CYP3A4CYP2C9POLB
SCHEMBL5714665 0.82 TP53 (0.49) THRBALDH1A1KDM4E
SCHEMBL5715333 0.82 KMT2A (0.42) MGLLFAAHALDH1A1KDM4E
SCHEMBL5714453 0.81 THRB (0.41) THRBPOLBALDH1A1KDM4E
SCHEMBL5714503 0.81 HTR2A (0.46) FAAHALDH1A1KDM4E
SCHEMBL5715247 0.80 THRB (0.39) THRBMGLLPOLB

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 5 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

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 THRB 598/4885MGLL 32/4885CYP1A2 1070/4885

“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.