SCHEMBL1067210

SCHEMBL1067210

CC(=O)n1cc(CC2CCCN2C)c2cc(CCS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
CHRM1 P11229 1/20 0.64
DRD1 P21728 1/20 0.64
SLC6A2 P23975 1/20 0.64
HTR1B P28222 1/20 0.64
OPRM1 P35372 1/20 0.64
SLC6A3 Q01959 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
HTR6 P50406 19/20 0.53

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
SCHEMBL1067208 1.00 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL29387278 0.87 CHRM2 (0.57) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL798695 0.86 CHRM2 (0.67) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL774519 0.86 CHRM2 (0.67) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL1697447 0.84 CHRM2 (0.64) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL8875999 0.81 HTR6 (0.53) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL6180265 0.81 HTR6 (0.53) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL7079772 0.81 HTR6 (0.53) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL773348 0.80 HTR6 (0.54) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL774709 0.80 HTR6 (0.54) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 WO disclosed
WO-2011004391-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ELETRIPTAN AND ITS SALT THEREOF MATRIX LABORATORIES LTD (IN) 2011-01-13 WO disclosed
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan PLUS CHEMICALS SA (CH) 2009-12-03 US disclosed
WO-2009142771-A2 SALTS OF (R)-5-(2-PHENYLSULPHONYLETHENYL)-3-(N- METHYLPYRROLIDIN-2-YLMETHYL)-1H-INDOLE, 5-BROMO-3-[(R)-1- METHYL-PYRROLIDIN-2- YLMETHYL]-1H-INDOLE AND OF ELETRIPTAN PLUS CHEMICALS, S.A. (CH) 2009-11-26 WO disclosed
US-7288662-B2 Process for the preparation of eletriptan PFIZER, INC. (US) 2007-10-30 US disclosed
EP-1373254-B1 Process for the preparation of the anti-migraine drug eletriptan PFIZER LTD (GB) 2005-11-02 EP disclosed
US-20050059828-A1 Process for the preparation of eletriptan PFIZER INC. 2005-03-17 US disclosed
US-20030166704-A1 New process PFIZER INC. 2003-09-04 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 (3 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-20050059828-A1 Process for the preparation of eletriptan TFPI, HTR3A, HTR3E CHRM2 1399/4885HTR1A 15/4885ADRA2A 2204/4885
US-20030166704-A1 New process TFPI, HTR4, HTR5A CHRM2 803/4885HTR1A 19/4885ADRA2A 2797/4885
US-20090299077-A1 Salts of (R)-5-(2phenylsulphonylethenyl)-3-(N-methylpyrrolidin-2-ylmethyl)-1H-indole, 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole and of eletriptan TPH1, SUCNR1, TPSD1 CHRM2 782/4885HTR1A 9/4885ADRA2A 1065/4885

“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.