SCHEMBL2296301

SCHEMBL2296301

O=C(O)N1CCCC1(Cc1ccccc1)C(=O)c1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD1 P21728 1/20 0.49
SLC6A2 P23975 1/20 0.49
HTR1B P28222 1/20 0.49
OPRM1 P35372 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38

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
SCHEMBL2296295 1.00 CHRM2 (0.49) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL707002 0.82 SIGMAR1 (0.43)
SCHEMBL2297682 0.76 HTR1A (0.57) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2296304 0.73 HTR1B (0.66) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2296297 0.73 HTR1B (0.66) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL2296298 0.71 CHRM2 (0.52) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL17707490 0.69 SLC6A2 (0.61) SLC6A2SLC6A3
SCHEMBL23189353 0.69 HTR1A (0.57) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6285597 0.69 NR4A2 (0.46) GABRA1GABRB2
SCHEMBL14472988 0.68 HTR1B (0.71) CHRM2HTR1AADRA2ACHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633239-B2 Process for the preparation of eletriptan BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-01-21 US disclosed
EP-2349998-B1 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2013-07-17 EP disclosed
US-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2011-08-25 US disclosed
EP-2349998-A2 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2011-08-03 EP disclosed
WO-2010049952-A2 A NOVEL PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED INDOLE DERIVATIVES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2010-05-06 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-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN HTR3C, HTR3A, HTR1A CHRM2 1485/4885HTR1A 3/4885ADRA2A 404/4885

“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.