SCHEMBL4150404

SCHEMBL4150404

FC(F)(F)c1ccc(OCc2ccccc2)c(I)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.56
SLC6A4 P31645 1/20 0.56
HTR2B P41595 1/20 0.56
FFAR1 O14842 1/20 0.52
RXRA P19793 2/20 0.51
RXRB P28702 2/20 0.51
RXRG P48443 2/20 0.51
MRGPRX4 Q96LA9 9/20 0.50
LRRK2 Q5S007 3/20 0.48
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL31020080 0.88 RXRA (0.57) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL4883033 0.86 LRRK2 (0.51) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL24314204 0.84 FFAR1 (0.52) HTR2CSLC6A4HTR2BFFAR1RXRA
SCHEMBL29469922 0.84 FFAR1 (0.52) HTR2CSLC6A4HTR2BFFAR1RXRA
SCHEMBL18703359 0.83 MRGPRX4 (0.61) HTR2CSLC6A4HTR2BFFAR1RXRA
SCHEMBL1331639 0.83 HTR2C (0.58) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL1332170 0.81 SLC6A4 (0.56) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL30427926 0.81 MRGPRX4 (0.72) MRGPRX4
SCHEMBL6080280 0.81 MRGPRX4 (0.57) HTR2CSLC6A4HTR2BRXRARXRB
SCHEMBL5730837 0.81 HTR2C (0.60) HTR2CSLC6A4HTR2BRXRARXRB

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
US-20090227591-A1 Cyclopentene compounds GLAXO GROUP LIMITED (GB) 2009-09-10 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid GLAXOSMITHKLINE 2008-11-06 US disclosed
US-7446222-B2 Phenyl compounds GLAXO GROUP LIMITED (GB) 2008-11-04 US disclosed
US-20080234335-A1 Cyclohexene Compounds GLAXO GROUP LIMITED (GB) 2008-09-25 US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-7232821-B2 (2-((2-alkoxy)-phenyl) -cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2007-06-19 US disclosed
US-20060235057-A1 Phenyl compounds GLAXO GROUP LIMITED (GB) 2006-10-19 US disclosed
EP-1670756-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
EP-1670764-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-06-21 EP disclosed
US-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LIMITED (GB) 2005-10-27 US disclosed
CN-1659131-A (2-((2-alkoxy) -phenyl) -cyclopent-1-enyl) aromatic carbo and heterocyclic acid and derivatives GLAXO GROUP LTD (GB) 2005-08-24 CN disclosed
EP-1556330-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-07-27 EP disclosed
WO-2005037794-A1 CYCLOHEXENE COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
WO-2005037786-A1 HETEROCYCLYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2005-04-28 WO disclosed
EP-1492757-A1 (2-((2-ALKOXY)-PHENYL)-CYCLOPENT-1-ENYL) AROMATIC CARBO- AND HETEROCYCLIC CARBOXYLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2004039753-A2 PHENYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-05-13 WO disclosed
WO-2003084917-A1 (2-((2-ALKOXY) -PHENYL) -CYCLOPENT-1-ENYL) AROMATIC CARBO AND HETEROCYCLIC ACID AND DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-10-16 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 (5 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-20050239802-A1 (2-((2-alkoxy)-phenyl)-cyclopent-1enyl) aromatic carbo and heterocyclic acid and derivatives CYP2C9, CYP2C19, CNR1 HTR2C 480/4885SLC6A4 3221/4885HTR2B 383/4885
US-20090227591-A1 Cyclopentene compounds C1R, CYP1B1, ADORA2B HTR2C 3002/4885SLC6A4 4647/4885HTR2B 906/4885
US-20080234335-A1 Cyclohexene Compounds C1R, CYP1B1, CYP2C9 HTR2C 1275/4885SLC6A4 4442/4885HTR2B 157/4885
US-20060235057-A1 Phenyl compounds RXRB, CYP2C9, RXFP1 HTR2C 1327/4885SLC6A4 2990/4885HTR2B 127/4885
US-20080275053-A1 Selective modulators of prostaglandin E2 at EP1 receptors; analgesics, antiinflammatory agents; neurodegenerative diseases, bone or renal disorders; 3-{1-[2-(benzyloxy)-phenyl]-5-methyl-1H-pyrrol-2-yl}-benzoic acid PTGER1, PTGER2, PTGDR HTR2C 469/4885SLC6A4 3796/4885HTR2B 189/4885

“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.