SCHEMBL7976894

SCHEMBL7976894

CCCCN1CCC(CNC(=O)c2c3n(c4ccccc24)C(=O)CCO3)CC1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 17/20 0.73
CHRM2 P08172 1/20 0.58
ADRA2B P18089 1/20 0.58
HRH2 P25021 1/20 0.58
HTR1D P28221 1/20 0.58
HTR2A P28223 1/20 0.58
HRH1 P35367 1/20 0.58
HTR2B P41595 1/20 0.58
HTR3A P46098 1/20 0.58
SIGMAR1 Q99720 1/20 0.58

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
Piboserod SCHEMBL467339 0.85 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
Piboserod SCHEMBL30234609 0.85 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7394362 0.84 HTR4 (0.52) HTR4
Piboserod SCHEMBL2228911 0.84 HTR4 (0.98) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7974652 0.83 HTR4 (0.75) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7976735 0.77 HTR4 (0.65) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8286732 0.75 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7333331 0.75 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL8287824 0.75 HTR4 (1.00) HTR4CHRM2ADRA2BHRH2HTR1D
SCHEMBL7365338 0.74 HTR4 (0.82) HTR4CHRM2ADRA2BHRH2HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031751-A1 (+/-)-n-((1-butyl-4-piperidinyl)methyl)-3,4-dihydro-4 -hydroxy-2h-(1,3)oxazino(3,2-alpha)indole-10-carboxamide as seretonin receptor antagonist; gastrointestinal, cardiovacular and central nervous system disorders SMITHKLINE BEECHAM P.L.C. 2001-10-18 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-20010031751-A1 (+/-)-n-((1-butyl-4-piperidinyl)methyl)-3,4-dihydro-4 -hydroxy-2h-(1,3)oxazino(3,2-alpha)indole-10-carboxamide as seretonin receptor antagonist; gastrointestinal, cardiovacular and central nervous system disorders HTR5A, HTR3A, HTR4 HTR4 3/4885CHRM2 283/4885ADRA2B 165/4885

“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.