SCHEMBL6909544

SCHEMBL6909544

CC(O)CCN1CCC(CNC(=O)c2c3n(c4ccccc24)CCCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 1.00
CHRM2 P08172 1/20 0.73
ADRA2B P18089 1/20 0.73
HRH2 P25021 1/20 0.73
HTR1D P28221 1/20 0.73
HTR2A P28223 1/20 0.73
HRH1 P35367 1/20 0.73
HTR2B P41595 1/20 0.73
HTR3A P46098 1/20 0.73
SIGMAR1 Q99720 1/20 0.73

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
SCHEMBL7365338 0.90 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL30234609 0.89 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL467339 0.89 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7333331 0.89 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8423110 0.88 HTR4 (0.79) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL2228911 0.88 HTR4 (0.98) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7374980 0.87 HTR4 (0.78) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8286732 0.86 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7328741 0.86 HTR4 (0.75) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7398429 0.85 HTR4 (0.88) HTR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176370-A1 3,4-Dihdro-N-[[1-(3-hydroxybutyl)-4-piperidinyl]methyl]-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide as 5-HT(4) receptor antagonist SMITHKLINE BEECHAM P.L.C. 2004-09-09 US disclosed
WO-2000017207-A1 3,4-DIHYDRO -N-[[1-(3 -HYDROXYBUTYL) -4-PIPERIDINYL] METHYL] -2H-[1,3] OXAZINO[3, 2-A]INDOLE -10-CARBOXAMIDE AS 5-HT(4) RECEPTOR ANTAGONIST SMITHKLINE BEECHAM P.L.C. (GB) 2000-03-30 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-20040176370-A1 3,4-Dihdro-N-[[1-(3-hydroxybutyl)-4-piperidinyl]methyl]-2H-[1,3]oxazino[3,2-a]indole-10-carboxamide as 5-HT(4) receptor antagonist HTR4, HTR3A, HTR1D HTR4 1/4885CHRM2 959/4885ADRA2B 103/4885

“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.