SCHEMBL5715010

SCHEMBL5715010

O=C(Oc1ccc(CCSc2ccccn2)cc1)N1CCN(Cc2ccncn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MGLL Q99685 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
FAAH O00519 1/20 0.41
USP2 O75604 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5714478 0.92 KDM4E (0.53) ALDH1A1KDM4EMGLL
SCHEMBL5715169 0.88 CYP1A2 (0.42) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5715139 0.87 ALDH1A1 (0.44) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5715330 0.85 ALDH1A1 (0.50) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5714784 0.85 KDM4E (0.48) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5714194 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EMGLLCYP3A4USP2
SCHEMBL5714941 0.85 MGLL (0.38) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5714925 0.84 ALDH1A1 (0.45) ALDH1A1KDM4EMGLLCYP1A2CYP3A4
SCHEMBL5715227 0.84 KDM4E (0.47) ALDH1A1KDM4EMGLL
SCHEMBL5714185 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EMGLLCYP1A2CYP3A4

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 ALDH1A1 1504/4885KDM4E 1090/4885MGLL 32/4885

“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.