SCHEMBL5714904

SCHEMBL5714904

Cc1nc(CCN2CCN(C(=O)Oc3ccc(CCSc4ncc[nH]4)cc3)CC2)cs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
GRIN2B Q13224 2/20 0.37
POLB P06746 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
GRIN2A Q12879 1/20 0.36
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL5715269 0.93 THRB (0.38) THRBPOLBHRH2HRH1KMT2A
SCHEMBL5714495 0.87 HRH2 (0.42) THRBPOLBHRH2HRH1KMT2A
SCHEMBL5715702 0.86 GRIN2B (0.39) THRBGRIN2BPOLBGRIN2AADORA3
SCHEMBL5715392 0.85 THRB (0.39) THRBGRIN2BPOLBHRH2HRH1
SCHEMBL5714485 0.85 NPC1 (0.38) THRBPOLBHRH2HRH1KMT2A
SCHEMBL5715288 0.85 TP53 (0.41) THRBHRH2HRH1ADORA3HTR2A
SCHEMBL5715267 0.85 TP53 (0.36) HRH2HRH1KMT2AALDH1A1L3MBTL1
SCHEMBL5714085 0.85 THRB (0.40) THRBGRIN2BPOLBHRH2HRH1
SCHEMBL5714283 0.84 THRB (0.39) THRBGRIN2BPOLBHRH2HRH1
SCHEMBL5714726 0.84 TP53 (0.47) THRBGRIN2BGRIN2AADORA3HTR2A

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 5 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

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 THRB 598/4885GRIN2B 2596/4885POLB 2674/4885

“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.