Sugi Predict

Sugi Predict / Compounds / SCHEMBL505789

SCHEMBL505789

SCHEMBL505789

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.66
▸ HTR1B P28222 6/20 0.65
▸ HTR1A P08908 3/20 0.65
▸ CHRM2 P08172 1/20 0.65
▸ ADRA2A P08913 1/20 0.65
▸ CHRM1 P11229 1/20 0.65
▸ DRD1 P21728 1/20 0.65
▸ SLC6A2 P23975 1/20 0.65
▸ OPRM1 P35372 1/20 0.65
▸ SLC6A3 Q01959 1/20 0.65
▸ HRH3 Q9Y5N1 1/20 0.65
▸ HTR1D P28221 5/20 0.58
▸ HTR2A P28223 2/20 0.56
▸ HTR2C P28335 2/20 0.56
▸ HTR1F P30939 2/20 0.56
▸ HTR7 P34969 2/20 0.56
▸ DRD3 P35462 1/20 0.56

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
SCHEMBL798333 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL505790 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL505788 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL10083480 1.00 HTR6 (0.66) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505855 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505856 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
Bromide SCHEMBL505854 0.99 HTR6 (0.65) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069045 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069044 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A
SCHEMBL1069043 0.96 HTR6 (0.64) HTR6HTR1BHTR1ACHRM2ADRA2A

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
CN-100430388-C Improved process for the preparation of alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2008-11-05 — — CN claimed
EP-1660485-B1 IMPROVED PROCESS FOR PREPARING ALPHA-POLYMORPHIC ELETRIPTAN HYDROBROMIDE PFIZER LTD (GB) 2006-12-27 — — EP claimed
CN-1823060-A Improved process for preparing alpha-polymorphic eletriptan hydrobromide PFIZER (US) 2006-08-23 — — CN 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
CN-105175397-A Synthesis method of eletriptan hydrobromate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2015-12-23 — — CN disclosed
US-8754239-B2 Process for preparing eletriptan hydrobromide having α-form SMS PHARMACEUTICALS LIMITED (IN) 2014-06-17 — — US disclosed
EP-2421853-B1 SYNTHESIS OF 3-{[(2R)-1-METHYLPYRROLIDIN-2-YL]METHYL}-5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE ITALIANA SINT SPA (IT) 2013-07-24 — — EP disclosed
US-8426612-B2 Synthesis of 3-{[(2R)-1-methylpyrrolidin-2-yl]methyl}-5[2-(phenylsulfonyl)ethyl]-1H-indole F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2013-04-23 — — US disclosed
CN-102936240-A Synthetic method of (R)-5-substituted-3-(N-carbobenzoxy pyrrolidine-2-based carbonyl)-1H-benzpyrole ZHEJIANG ACADEMY MEDICAL SCI 2013-02-20 — — CN disclosed
US-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF USV Limited B.S.D. Mar (IN) 2012-03-22 — — US disclosed
CN-1039322-C Indole derivatives PFIZER (US) 1998-07-29 — — CN 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-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-5559246-A PROCESS OF DEHYDROHALOGENATION FOR CYCLIZATION TO PRODUCE PSYCHOTHERAPEUTIC AGENTS AND ANTISEROTONIN ANTAGONIST 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
CN-1062529-A INDOLE DERIVATIVES PFIZER (US) 1992-07-08 — — CN 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 (4 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 28/4885HTR1B 21/4885HTR1A 12/4885
US-20050245591-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885HTR1B 81/4885HTR1A 29/4885
US-20050020663-A1 Process TPSD1, TPSAB1, TPSB2 HTR6 260/4885HTR1B 81/4885HTR1A 29/4885
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 15/4885HTR1B 61/4885HTR1A 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.