SCHEMBL3624652

SCHEMBL3624652

O=S(=O)(c1ccccc1)n1ccc2c(CBr)cccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 20/20 0.71
HTR1A P08908 3/20 0.71
HTR1D P28221 2/20 0.71
HTR1B P28222 2/20 0.71
HTR1F P30939 2/20 0.71
HTR7 P34969 2/20 0.71
DRD3 P35462 2/20 0.71
DRD2 P14416 2/20 0.66
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
HTR2A P28223 1/20 0.52
BCHE P06276 1/20 0.52

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
SCHEMBL30647074 0.87 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13275322 0.87 HTR6 (0.65) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4029770 0.87 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL3611374 0.85 HTR6 (0.80) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL7449413 0.85 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL16796502 0.85 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL1692232 0.85 HTR6 (0.66) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL13504557 0.84 HTR6 (0.69) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL3624923 0.84 HTR6 (0.78) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL4023837 0.83 HTR6 (0.76) HTR6HTR1AHTR1DHTR1BHTR1F

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO disclosed
EP-1675856-A1 NOVEL TETRAYDROSPIRO{PIPERIDINE-2,7'-PYRROLO [3,2]PYRIDINE} DERIVATIVES AND NOVEL INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF 5-HT6 RECEPTOR -RELATED DISORDERS BIOVITRUM AB (SE) 2006-07-05 EP disclosed
WO-2005037834-A1 NOVEL TETRAYDROSPIRO{PIPERIDINE-2,7’ -PYRROLO[3,2-b]PYRIDINE DERIVATIVES AND NOVEL INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF 5-HT6 RECEPTOR -RELATED DISORDERS BIOVITRUM AB (SE) 2005-04-28 WO disclosed
US-5545744-A Cyano naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-08-13 US disclosed
US-5498727-A Preparation of benzindole compounds from naphthalene compounds AGOURON PHARMACEUTICALS, INC. (US) 1996-03-12 US disclosed
WO-1996002502-A1 PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS AGOURON PHARMACEUTICALS, INC. (US) 1996-02-01 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 (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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885HTR1A 3/4885HTR1D 11/4885
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 HTR6 305/4885HTR1A 123/4885HTR1D 50/4885

“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.