Eletriptan

Eletriptan

SCHEMBL10083479

CN1CCC[C@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HTR1BHTR1DHTR1F

The experimentally established mechanism targets of Eletriptan. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B known ✓ P28222 9/20 1.00
HTR1D known ✓ P28221 6/20 0.66
HTR1F known ✓ P30939 1/20 0.57
HTR1A P08908 4/20 1.00
CHRM2 P08172 1/20 1.00
ADRA2A P08913 1/20 1.00
CHRM1 P11229 1/20 1.00
DRD1 P21728 1/20 1.00
SLC6A2 P23975 1/20 1.00
OPRM1 P35372 1/20 1.00
SLC6A3 Q01959 1/20 1.00
HRH3 Q9Y5N1 1/20 1.00
HTR6 P50406 12/20 0.67
HTR2A P28223 1/20 0.57
HTR2C P28335 1/20 0.57
HTR7 P34969 1/20 0.57
DRD3 P35462 1/20 0.57

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
Eletriptan SCHEMBL26719 1.00 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL29414096 1.00 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL798473 1.00 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL1556539 1.00 HTR1B (1.00) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL4431798 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL3713443 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL4233264 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL1068516 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL29244076 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1
Eletriptan SCHEMBL317370 0.99 HTR1B (0.98) HTR1BHTR1ACHRM2ADRA2ACHRM1

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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A HTR1B 21/4885HTR1D 26/4885HTR1F 30/4885

“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.