SCHEMBL5714726

SCHEMBL5714726

O=C(Oc1ccc(CCSc2ncc[nH]2)cc1)N1CCN(CCc2ccccn2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.47
THRB P10828 2/20 0.44
GRIN2B Q13224 2/20 0.43
LMNA P02545 1/20 0.43
GRIN2A Q12879 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
FAAH O00519 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
SCHEMBL5715120 0.95 GRIN2B (0.45) TP53THRBGRIN2BLMNAGRIN2A
SCHEMBL5714227 0.92 KDM4E (0.48) GRIN2B
SCHEMBL5714756 0.92 TP53 (0.47) TP53THRBLMNA
SCHEMBL5715702 0.88 GRIN2B (0.39) TP53THRBGRIN2BGRIN2AADORA3
SCHEMBL5715872 0.88 GRIN2B (0.39) THRBGRIN2BGRIN2AADORA3HTR2A
SCHEMBL5715392 0.87 THRB (0.39) TP53THRBGRIN2BGRIN2AADORA3
SCHEMBL5714920 0.87 TP53 (0.51) TP53THRBLMNANPC1RAB9A
SCHEMBL5714254 0.87 TP53 (0.42) TP53THRBGRIN2BLMNAGRIN2A
SCHEMBL5715723 0.87 GRIN2B (0.42) THRBGRIN2BGRIN2AADORA3HTR2A
SCHEMBL5714108 0.86 TP53 (0.48) TP53THRBLMNANPC1RAB9A

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 TP53 2326/4885THRB 598/4885GRIN2B 2596/4885

“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.