SCHEMBL5715872

SCHEMBL5715872

O=C(Oc1ccc(CCSc2ncc[nH]2)cc1)N1CCN(CCc2c[nH]cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
THRB P10828 2/20 0.38
GRIN2A Q12879 1/20 0.38
POLB P06746 2/20 0.37
HSD11B1 P28845 1/20 0.37
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
FAAH O00519 1/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35

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
SCHEMBL5714383 0.92 THRB (0.39) GRIN2BTHRBGRIN2APOLBHSD11B1
SCHEMBL5714726 0.88 TP53 (0.47) GRIN2BTHRBGRIN2AADORA3HTR2A
SCHEMBL5715805 0.88 THRB (0.43) THRBPOLBADORA3HTR2AHTR7
SCHEMBL5714283 0.86 THRB (0.39) GRIN2BTHRBGRIN2APOLBHSD11B1
SCHEMBL5715392 0.85 THRB (0.39) GRIN2BTHRBGRIN2APOLBHSD11B1
SCHEMBL5715991 0.85 TP53 (0.41) THRBADORA3HTR2AHTR7OPRM1
SCHEMBL5715723 0.85 GRIN2B (0.42) GRIN2BTHRBGRIN2APOLBHSD11B1
SCHEMBL5715702 0.85 GRIN2B (0.39) GRIN2BTHRBGRIN2APOLBADORA3
SCHEMBL5714304 0.84 THRB (0.42) GRIN2BTHRBGRIN2APOLB
SCHEMBL5714904 0.84 THRB (0.38) GRIN2BTHRBGRIN2APOLBHSD11B1

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 GRIN2B 2596/4885THRB 598/4885GRIN2A 1942/4885

“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.