SCHEMBL5716161

SCHEMBL5716161

Cn1ccnc1SCCc1ccc(OC(=O)N2CCN(CCc3c[nH]cn3)CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
OPRM1 P35372 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
FAAH O00519 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
SCHEMBL5716141 0.92 SMN1; SMN2 (0.46) THRBRAB9ANPC1SMN1; SMN2POLB
SCHEMBL5714465 0.87 TP53 (0.49) THRBMAPTRAB9ANPC1ADORA3
SCHEMBL5714463 0.86 THRB (0.38) THRBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5714580 0.85 MAPT (0.39) THRBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5715805 0.85 THRB (0.43) THRBADORA3HTR2AHTR7OPRM1
SCHEMBL5714485 0.85 NPC1 (0.38) THRBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5714513 0.85 MAPT (0.38) THRBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5715991 0.84 TP53 (0.41) THRBADORA3HTR2AHTR7OPRM1
SCHEMBL5714231 0.84 MAPT (0.39) THRBMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL5715872 0.83 GRIN2B (0.39) THRBADORA3HTR2AHTR7OPRM1

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 THRB 598/4885MAPT 4348/4885RAB9A 2283/4885

“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.