SCHEMBL5715470

SCHEMBL5715470

Cc1ccc(CCc2ccc(OC(=O)N3CCN(Cc4ccncn4)CC3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.42
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 1/20 0.40
MGLL Q99685 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 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
SCHEMBL5715409 0.92 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5714979 0.88 KDM4E (0.55) AOC3KDM4EALDH1A1POLB
SCHEMBL5715370 0.88 AOC3 (0.43) AOC3KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6102884 0.87 KDM4E (0.42) KDM4EALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5715429 0.86 AOC3 (0.43) AOC3KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL5713959 0.85 KDM4E (0.57) AOC3KDM4EALDH1A1POLB
SCHEMBL6099837 0.84 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP2C9MGLL
SCHEMBL5715262 0.84 AOC3 (0.48) AOC3CYP1A2CYP2C9CYP2C19POLB
SCHEMBL5715027 0.83 KMT2A (0.43) AOC3KDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL6103266 0.83 KDM4E (0.44) KDM4EALDH1A1CYP1A2CYP2C9MGLL

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 AOC3 1636/4885KDM4E 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.