SCHEMBL3222849

SCHEMBL3222849

CN1CCC(c2c[nH]c3ccc(CCS(N)(=O)=O)cc23)CC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.77
HTR1B P28222 12/20 0.77
HTR1A P08908 2/20 0.77
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
HTR1F P30939 1/20 0.53
APP P05067 1/20 0.52
MAPT P10636 1/20 0.52
BLM P54132 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTR6 P50406 3/20 0.50

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
SCHEMBL4541547 1.00 HTR1D (0.77) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL9527477 0.90 HTR1D (0.78) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL23394791 0.89 HTR1D (0.77) HTR1DHTR1BHTR1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9874795 0.89 HTR1D (0.77) HTR1DHTR1BHTR1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9527429 0.88 HTR1D (0.76) HTR1DHTR1BHTR1ACYP1A2CYP3A4
Hydrochloric Acid SCHEMBL9764720 0.88 HTR1D (0.66) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL30137440 0.87 HTR1D (0.74) HTR1DHTR1BHTR1ACYP1A2CYP3A4
SCHEMBL9527534 0.87 HTR1D (0.74) HTR1DHTR1BHTR1ACYP1A2CYP3A4
Naratriptan SCHEMBL68753 0.87 HTR1D (1.00) HTR1DHTR1BHTR1ACYP1A2CYP3A4
Naratriptan SCHEMBL29403931 0.87 HTR1D (1.00) HTR1DHTR1BHTR1ACYP1A2CYP3A4

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
WO-2009118753-A2 PROCESS FOR PREPARATION OF NARATRIPTAN HYDROCHLORIDE USV LIMITED (IN) 2009-10-01 WO claimed
CN-1022243-C Indole derivatives and process for preparation thereof GLAXO GROUP LTD (GB) 1993-09-29 CN claimed
EP-0303507-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 1993-07-28 EP claimed
US-4997841-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-05 US claimed
CN-1038807-A The preparation method of indole derivatives GLAXO GROUP LTD (GB) 1990-01-17 CN claimed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
EP-0303506-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP claimed
WO-2009118753-A3 PROCESS FOR PREPARATION OF NARATRIPTAN HYDROCHLORIDE USV LIMITED (IN) 2010-01-28 WO disclosed
WO-2009118753-A2 PROCESS FOR PREPARATION OF NARATRIPTAN HYDROCHLORIDE USV LIMITED (IN) 2009-10-01 WO disclosed
WO-2009118753-A2 PROCESS FOR PREPARATION OF NARATRIPTAN HYDROCHLORIDE USV LIMITED (IN) 2009-10-01 WO disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
US-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof TRANSORAL PHARMACEUTICALS, INC. (US) 2007-03-15 US disclosed
EP-0639072-A1 PHARMACEUTICAL COMPOSITIONS OF ALKYLSULPHONAMIDES 5HT1 AGONISTS FOR RECTAL ADMINISTRATION LABORATOIRE GLAXO WELLCOME (FR) 1995-02-22 EP disclosed
WO-1993021916-A1 PHARMACEUTICAL COMPOSITIONS OF ALKYLSULPHONAMIDES 5HT1 AGONISTS FOR RECTAL ADMINISTRATION LABORATOIRES GLAXO SA (FR) 1993-11-11 WO disclosed
CN-1022243-C Indole derivatives and process for preparation thereof GLAXO GROUP LTD (GB) 1993-09-29 CN disclosed
EP-0303507-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 1993-07-28 EP disclosed
US-4997841-A Indole derivatives GLAXO GROUP LIMITED (GB) 1991-03-05 US disclosed
CN-1038807-A The preparation method of indole derivatives GLAXO GROUP LTD (GB) 1990-01-17 CN disclosed
EP-0303507-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 EP 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 (1 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-20070059254-A1 Compositions for delivering 5-ht agonists across the oral mucosa and methods of use thereof HTR5A, HTR1A, HTR3A HTR1D 17/4885HTR1B 15/4885HTR1A 2/4885

“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.