SCHEMBL774709

SCHEMBL774709

CC(=O)n1cc(CC2CCCN2C)c2cc(C=CS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.54
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR1B P28222 1/20 0.41
OPRM1 P35372 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL773348 1.00 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL722273 1.00 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL1697440 1.00 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
Bromide SCHEMBL19148600 0.93 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL19170911 0.89 HTR6 (0.50) HTR6
SCHEMBL28793899 0.86 HTR6 (0.52) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL14593917 0.84 HTR6 (0.43) HTR6HTR1B
SCHEMBL19171434 0.84 HTR6 (0.54) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL28793900 0.83 HTR6 (0.53) HTR6CHRM2HTR1AADRA2ACHRM1
SCHEMBL14627126 0.81 HTR6 (0.44) HTR6HTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660485-B1 IMPROVED PROCESS FOR PREPARING ALPHA-POLYMORPHIC ELETRIPTAN HYDROBROMIDE PFIZER LTD (GB) 2006-12-27 EP claimed
US-20050245591-A1 Process PFIZER INC. 2005-11-03 US claimed
US-20050020663-A1 Process FURLONG PATRICK JOSEPH (IE) 2005-01-27 US claimed
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 US disclosed
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-7164030-B2 Improved preparation of alpha -polymorphic eletriptan hydrobromide, by salt formation in a solution of 2-butanone and water, distillation, dehydration, desolventizing; purity, white color crystals PFIZER INC. (US) 2007-01-16 US disclosed
EP-1660485-B1 IMPROVED PROCESS FOR PREPARING ALPHA-POLYMORPHIC ELETRIPTAN HYDROBROMIDE PFIZER LTD (GB) 2006-12-27 EP disclosed
US-20050245591-A1 Process PFIZER INC. 2005-11-03 US disclosed
US-6927296-B2 Process PFIZER INC. (US) 2005-08-09 US disclosed
US-20050020663-A1 Process FURLONG PATRICK JOSEPH (IE) 2005-01-27 US disclosed
US-20030166704-A1 New process PFIZER INC. 2003-09-04 US disclosed
US-5607951-A SEROTONIN AGONIST FOR NERVOUS SYSTEM DISORDERS, ANALGESICS AND PSYCHOTHERAPEUTICS PFIZER INC (US) 1997-03-04 US disclosed
US-5578612-A Indole derivatives PFIZER INC. (US) 1996-11-26 US disclosed
US-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST PFIZER INC. (US) 1996-09-24 US disclosed
US-5559129-A SEROTONIN (5HT1) ANTAGONIST FOR TREATMENT OF DEPRESSION, ANXIETY, EATING DISORDERS, OBESITY, DRUG ABUSE, HEADACHES, AND PAIN PFIZER INC (US) 1996-09-24 US disclosed
US-5545644-A SEROTONIN AGONISTS; HYPOTENSIVE AND ANXIOLYTIC AGENTS; ANALGESICS; ANTIDEPRESSANTS; EATING DISORDERS; DRUG ABUSE; HEADACHES; VASCULAR DISORDERS PFIZER INC. (US) 1996-08-13 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 (5 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 HTR6 28/4885CHRM2 1355/4885HTR1A 12/4885
US-20050245591-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885CHRM2 1662/4885HTR1A 29/4885
US-20050020663-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885CHRM2 1662/4885HTR1A 29/4885
US-20030166704-A1 New process TFPI, HTR4, HTR5A HTR6 20/4885CHRM2 803/4885HTR1A 19/4885
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 HTR6 15/4885CHRM2 782/4885HTR1A 9/4885

“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.