SCHEMBL5714941

SCHEMBL5714941

O=C(Oc1ccc(CCSc2ncc[nH]2)cc1)N1CCN(Cc2ccncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
FAAH O00519 2/20 0.36
GRIN2B Q13224 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL6101827 0.91 MGLL (0.39) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5714227 0.89 KDM4E (0.48) MGLLGRIN2BALDH1A1KDM4E
SCHEMBL5714258 0.89 CYP1A2 (0.38) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5715169 0.87 CYP1A2 (0.42) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5714821 0.86 MGLL (0.36) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5714346 0.86 KDM4E (0.45) MGLLCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL5715063 0.86 KDM4E (0.47) MGLLCYP1A2CYP3A4CYP2C9ALDH1A1
SCHEMBL5715010 0.85 ALDH1A1 (0.44) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5714628 0.84 KMT2A (0.40) MGLLCYP1A2CYP3A4CYP2C9FAAH
SCHEMBL5714457 0.82 PANK3 (0.36) MGLLCYP1A2CYP3A4CYP2C9ALDH1A1

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 MGLL 32/4885CYP1A2 1070/4885CYP3A4 1537/4885

“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.