SCHEMBL980209

SCHEMBL980209

CNC1CCc2[nH]c3ccc(NC=O)cc3c2C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.61
HTR1A P08908 2/20 0.61
HTR1D P28221 2/20 0.61
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
HTR1E P28566 1/20 0.54
HTR7 P34969 1/20 0.54
OPRM1 P35372 1/20 0.54
TMEM97 Q5BJF2 1/20 0.54
HTR1F P30939 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
BAZ2B Q9UIF8 1/20 0.41
RB1 P06400 1/20 0.40

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
SCHEMBL7031093 1.00 HTR1B (0.61) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL2301469 1.00 HTR1B (0.61) HTR1BHTR1AHTR1DDRD2DRD4
Bromide SCHEMBL7027435 0.99 HTR1B (0.60) HTR1BHTR1AHTR1DDRD2DRD4
Hydrochloric Acid SCHEMBL3466984 0.99 HTR1B (0.60) HTR1BHTR1AHTR1DDRD2DRD4
SCHEMBL7026151 0.94 HTR1B (0.59) HTR1BHTR1AHTR1DDRD2DRD4
Oxalic Acid SCHEMBL7540895 0.94 HTR1B (0.62) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL7700352 0.92 HTR1B (0.68) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL7024837 0.92 HTR1B (0.68) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL16318529 0.91 HTR1B (0.69) HTR1BHTR1AHTR1DDRD2DRD4
Succinic Acid SCHEMBL7025602 0.91 HTR1B (0.69) HTR1BHTR1AHTR1DDRD2DRD4

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
EP-0674621-B1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS VERNALIS LTD (GB) 2003-02-26 EP claimed
US-20020032192-A1 Treatment of vasodilatory headache VERNALIS LIMITED (GB) 2002-03-14 US claimed
WO-1999022730-A1 USE OF (+)-6-CARBOXAMIDO-3-METHYLAMINO-1,2,3,4-TETRAHYDROCARBAZOLE FOR TREATING HYPERALGESIA VANGUARD MEDICA LIMITED (GB) 1999-05-14 WO claimed
EP-0603432-B1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1998-10-21 EP claimed
EP-0591280-B1 USE OF TETRAHYDROCARBAZOLE DERIVATIVES AS 5HT1-RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1998-09-09 EP claimed
US-5618947-A SEPARATING THE RACEMIC MIXTURE BY CHROMATOGRAPHY SMITHKLINE BEECHAM, P.L.C. (GB) 1997-04-08 US claimed
US-5618948-A TREATMENT OF 6-CARBOXAMIDO-3-METHYLAMINO-1,2,3,4-TETRAHYDROCARBAZOLE WITH 2-PYRROLIDONE-5-CARBOXYLIC ACID, CRYSTALLIZATION SMITHKLINE BEECHAM P.L.C. (GB) 1997-04-08 US claimed
US-5616603-A TREATING MIGRAINES SMITHKLINE BEECHAM PLC (GB) 1997-04-01 US claimed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US claimed
EP-0674621-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
WO-1994014772-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 EP claimed
EP-2816030-A1 Process for the preparation of frovatriptan and its enantiomer Duke Chem, S. A. (ES) 2014-12-24 EP disclosed
WO-2014202717-A1 PROCESS FOR THE PREPARATION OF FROVATRIPTAN AND ITS ENANTIOMER DUKE CHEM, S.A. (ES) 2014-12-24 WO disclosed
US-20110002967-A1 Methods of Transdermally Administering an Indole Serotonin Receptor Agonist and Transdermal Compositions for Use in the Same TEIKOKU PHARMA USA, INC. 2011-01-06 US disclosed
WO-2010122343-A1 A PROCESS FOR THE PREPARATION OF FROVATRIPTAN AND FROVATRIPTAN SUCCINATE AND THEIR SYNTHETIC INTERMEDIATES GENERICS [UK] LIMITED (GB) 2010-10-28 WO disclosed
US-5464864-A Use of tetrahydrocarbazone derivatives as 5HT1 receptor agonists SMITHKLINE BEECHAM P.L.C. (GB) 1995-11-07 US disclosed
EP-0674621-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014772-A1 ENANTIOMERS OF CARBAZOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed
EP-0603432-A1 Tetrahydrocarbazole derivatives for the manufacture of a medicament for the treatment of a disease where a 5-HT1-like agonist is indicated SMITHKLINE BEECHAM PLC (GB) 1994-06-29 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 (2 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-20020032192-A1 Treatment of vasodilatory headache CNR1, CNR2, EDNRA HTR1B 71/4885HTR1A 36/4885HTR1D 26/4885
US-20110002967-A1 Methods of Transdermally Administering an Indole Serotonin Receptor Agonist and Transdermal Compositions for Use in the Same HTR7, TPH1, TPH2 HTR1B 14/4885HTR1A 5/4885HTR1D 25/4885

“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.