SCHEMBL772623

SCHEMBL772623

CN1CCC[C@@H]1Cc1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 1.00
HTR1B P28222 7/20 0.70
HTR1D P28221 4/20 0.70
HTR1A P08908 3/20 0.66
HTR2A P28223 2/20 0.65
BCHE P06276 1/20 0.63
CHRM2 P08172 1/20 0.59
ADRA2A P08913 1/20 0.59
CHRM1 P11229 1/20 0.59
DRD1 P21728 1/20 0.59
SLC6A2 P23975 1/20 0.59
OPRM1 P35372 1/20 0.59
SLC6A3 Q01959 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
GABRP O00591 1/20 0.59
GABRD O14764 1/20 0.59
GABRA1 P14867 1/20 0.59
GABRB1 P18505 1/20 0.59
GABRG2 P18507 1/20 0.59
GABRB3 P28472 1/20 0.59

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
SCHEMBL798334 1.00 HTR6 (1.00) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL29827369 1.00 HTR6 (1.00) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL8789728 0.96 HTR6 (0.92) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL30675339 0.92 HTR6 (0.85) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL30675333 0.92 HTR6 (0.85) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL8789433 0.92 HTR6 (0.84) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL29899680 0.86 HTR6 (0.76) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL30675343 0.86 HTR6 (0.76) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL27712671 0.86 HTR6 (0.76) HTR6HTR1BHTR1DHTR1AHTR2A
SCHEMBL8508432 0.83 HTR1B (1.00) HTR6HTR1BHTR1DHTR1ACHRM2

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 30 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 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
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-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 disclosed
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 disclosed
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 disclosed
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
US-6100291-A FOR TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ALLELIX BIOPHARMACEUTICALS INC. (CA) 2000-08-08 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
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 EP disclosed
CN-1094727-A The 5-(hetero) aryl indole derivatives PFIZER (US) 1994-11-09 CN disclosed
EP-0619805-A1 INDOLE DERIVATIVES PFIZER HOSPITAL PRODUCTS, INC. (US) 1994-10-19 EP disclosed
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 WO disclosed
EP-0592438-A1 INDOLE DERIVATIVES. PFIZER (US) 1994-04-20 EP disclosed
WO-1993011106-A1 INDOLE DERIVATIVES PFIZER, INC. (US) 1993-06-10 WO disclosed
CN-1072679-A INDOLE DERIVATIVES PFIZER (US) 1993-06-02 CN disclosed
WO-1992006973-A1 INDOLE DERIVATIVES PFIZER INC. (US) 1992-04-30 WO 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-20120071669-A1 PROCESS FOR PREPARATION OF ELETRIPTAN AND SALT THEREOF HTR3C, SLC6A4, HTR3A HTR6 28/4885HTR1B 21/4885HTR1D 26/4885
US-20080319205-A1 Process for preparing 5-bromo-3-[(R)-1-methyl-pyrrolidin-2-ylmethyl]-1H-indole TPH1, INMT, IDO1 HTR6 24/4885HTR1B 31/4885HTR1D 21/4885
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 61/4885HTR1D 28/4885

“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.