SCHEMBL5715076

SCHEMBL5715076

O=C(Oc1ccc2cccnc2c1)N1CCN(Cc2ccncn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
FAAH O00519 1/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL5714890 0.89 ALDH1A1 (0.55) KDM4EALDH1A1MAPTTSHR
SCHEMBL5714443 0.86 KDM4E (0.43) KDM4EALDH1A1MAPTABL1SRC
SCHEMBL5714601 0.83 KDM4E (0.43) KDM4EALDH1A1MAPTFAAHTSHR
SCHEMBL5713978 0.83 KDM4E (0.47) KDM4EALDH1A1MAPTABL1SRC
SCHEMBL5714484 0.83 KDM4E (0.52) KDM4EALDH1A1FAAH
SCHEMBL5714708 0.79 TP53 (0.55)
SCHEMBL28439784 0.78 ADORA2A (0.49) ALDH1A1MAPTABL1SRCTSHR
SCHEMBL5714185 0.78 ALDH1A1 (0.53) KDM4EALDH1A1MAPTTSHRCYP1A2
SCHEMBL5715532 0.77 TP53 (0.48) KDM4EALDH1A1FAAH
SCHEMBL5715450 0.77 DRD2 (0.44) KDM4EALDH1A1FAAHCYP3A4CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US 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 1504/4885MAPT 4348/4885

“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.