SCHEMBL5714007

SCHEMBL5714007

Cn1ccnc1SCCc1ccc(OC(=O)N2CCN(CCc3nccs3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 3/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
TP53 P04637 1/20 0.40
LTA4H P09960 1/20 0.39
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
THRB P10828 1/20 0.38
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36

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
SCHEMBL5715029 0.92 SMN1; SMN2 (0.46) CYP3A4SMN1; SMN2ALDH1A1USP2CYP2D6
SCHEMBL5713982 0.85 CYP3A4 (0.44) CYP3A4SMN1; SMN2ALDH1A1USP2CYP2D6
SCHEMBL5714485 0.85 NPC1 (0.38) SMN1; SMN2ALDH1A1ADORA3HTR2AHTR7
SCHEMBL5715447 0.85 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1CYP2D6ADORA3HTR2A
SCHEMBL5714869 0.84 CYP3A4 (0.48) CYP3A4SMN1; SMN2ALDH1A1USP2CYP2D6
SCHEMBL5715606 0.83 THRB (0.42) ALDH1A1LTA4HADORA3HTR2AHTR7
SCHEMBL5714465 0.83 TP53 (0.49) ALDH1A1TP53ADORA3HTR2AHTR7
SCHEMBL5714463 0.83 THRB (0.38) SMN1; SMN2ALDH1A1ADORA3HTR2AHTR7
SCHEMBL5716161 0.83 THRB (0.38) SMN1; SMN2ALDH1A1ADORA3HTR2AHTR7
SCHEMBL5715514 0.83 CYP3A4 (0.42) CYP3A4SMN1; SMN2ALDH1A1USP2CYP2D6

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 CYP3A4 1537/4885SMN1; SMN2 3125/4885ALDH1A1 1504/4885

“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.