SCHEMBL798695

SCHEMBL798695

CN1CCCC1Cc1cn(CCS(=O)(=O)c2ccccc2)c2ccc(CCS(=O)(=O)c3ccccc3)cc12

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.67
HTR1A P08908 1/20 0.67
ADRA2A P08913 1/20 0.67
CHRM1 P11229 1/20 0.67
DRD1 P21728 1/20 0.67
SLC6A2 P23975 1/20 0.67
HTR1B P28222 1/20 0.67
OPRM1 P35372 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HRH3 Q9Y5N1 1/20 0.67
HTR6 P50406 19/20 0.55

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
SCHEMBL774519 1.00 CHRM2 (0.67) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1697447 0.92 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1067208 0.86 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1067210 0.86 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL19171434 0.83 HTR6 (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL29387278 0.81 CHRM2 (0.57) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL19171029 0.80 HTR1B (0.80) CHRM2HTR1AADRA2ACHRM1DRD1
Eletriptan SCHEMBL798473 0.80 HTR1B (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Eletriptan SCHEMBL1556539 0.80 HTR1B (1.00) CHRM2HTR1AADRA2ACHRM1DRD1
Eletriptan SCHEMBL29414096 0.80 HTR1B (1.00) 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 2 patents. 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
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 CHRM2 1355/4885HTR1A 12/4885ADRA2A 558/4885

“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.