SCHEMBL5715063

SCHEMBL5715063

O=C(Oc1ccc(CCSc2ncc[nH]2)cc1)N1CCN(Cc2cccnc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TACR3 P29371 1/20 0.41
MGLL Q99685 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
SCHEMBL5714304 0.92 THRB (0.42) KDM4EALDH1A1POLB
SCHEMBL6102002 0.92 KDM4E (0.47) KDM4EALDH1A1LMNAPOLBTDP1
SCHEMBL5715119 0.91 KDM4E (0.46) KDM4EALDH1A1MGLL
SCHEMBL5714258 0.89 CYP1A2 (0.38) ALDH1A1CYP1A2CYP3A4CYP2C9MGLL
SCHEMBL5714440 0.86 ALDH1A1 (0.48) KDM4EALDH1A1LMNAPOLBTDP1
SCHEMBL5714941 0.86 MGLL (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL5714227 0.86 KDM4E (0.48) KDM4EALDH1A1MGLL
SCHEMBL5714864 0.85 THRB (0.42) KDM4EALDH1A1POLB
SCHEMBL5714784 0.84 KDM4E (0.48) KDM4EALDH1A1LMNAPOLBTDP1
SCHEMBL5714157 0.83 KDM4E (0.46) KDM4EALDH1A1MGLL

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 KDM4E 1090/4885ALDH1A1 1504/4885LMNA 1939/4885

“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.