Sugi Predict

Sugi Predict / Compounds / SCHEMBL697582

SCHEMBL697582

SCHEMBL697582

CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 8/20 0.76
▸ HTR1D P28221 5/20 0.76
▸ HTR1A P08908 3/20 0.71
▸ HTR6 P50406 10/20 0.69
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ DRD1 P21728 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58

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
SCHEMBL2182107 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL772429 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL29827195 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
Oxalic Acid SCHEMBL2727283 0.94 HTR1B (0.68) HTR1BHTR1DHTR1AHTR6CHRM2
Oxalic Acid SCHEMBL2725284 0.94 HTR1B (0.68) HTR1BHTR1DHTR1AHTR6CHRM2
Fumaric Acid SCHEMBL2180504 0.90 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6CHRM2
Fumaric Acid SCHEMBL2182475 0.90 HTR1B (0.63) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8888890 0.87 HTR1B (0.60) HTR1BHTR1DHTR1AHTR6
SCHEMBL8508432 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8208343 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2

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 112 patents — showing the first 20. 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 claimed
WO-2012025772-A1 PROCESS FOR PREPARING PURE 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE, INTERMEDIATE FOR ELETRIPTAN POTLURI RAMESH BABU (IN) 2012-03-01 — — WO claimed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 — — WO claimed
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
EP-2038273-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE Plus Chemicals B.V. (NL) 2009-03-25 — — EP claimed
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole PLUS CHEMICALS S.A. (CH) 2008-12-25 — — US claimed
WO-2008150500-A1 A PROCESS FOR PREPARING 5-BROMO-3-[(R)-1-METHYL-PYRROLIDIN-2-YLMETHYL]-1H-INDOLE PLUS CHEMICALS, S.A. (CH) 2008-12-11 — — 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
EP-1373254-B1 Process for the preparation of the anti-migraine drug eletriptan PFIZER LTD (GB) 2005-11-02 — — EP claimed
CN-1199969-C New process for the preparation of the anti-migraine drug PFIZER LTD (US) 2005-05-04 — — CN claimed
US-20050059828-A1 Process for the preparation of eletriptan PFIZER INC. 2005-03-17 — — US claimed
US-20050020663-A1 Process FURLONG PATRICK JOSEPH (IE) 2005-01-27 — — US claimed
CN-1487932-A New process for the preparation of the anti-migraine drug — 2004-04-07 — — CN claimed
US-20030166704-A1 New process PFIZER INC. 2003-09-04 — — US claimed
CN-1039322-C Indole derivatives PFIZER (US) 1998-07-29 — — CN claimed
EP-0592438-B1 INDOLE DERIVATIVES PFIZER (US) 1997-08-27 — — EP claimed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 — — EP claimed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 HTR1B 21/4885HTR1D 26/4885HTR1A 12/4885
US-20050059828-A1 Process for the preparation of eletriptan TFPI, HTR3A, HTR3E HTR1B 33/4885HTR1D 21/4885HTR1A 15/4885
US-20050020663-A1 Process TPSD1, TPSAB1, TPSB2 HTR1B 81/4885HTR1D 78/4885HTR1A 29/4885
US-20030166704-A1 New process TFPI, HTR4, HTR5A HTR1B 32/4885HTR1D 24/4885HTR1A 19/4885
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole TPH1, INMT, IDO1 HTR1B 31/4885HTR1D 21/4885HTR1A 11/4885
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 HTR1B 61/4885HTR1D 28/4885HTR1A 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.