SCHEMBL1708540

SCHEMBL1708540

O=C1CCc2cc(Br)ccc2C1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
SLC6A4 P31645 1/20 0.47
MMP2 P08253 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CES2 O00748 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SRD5A1 P18405 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ADRB2 P07550 1/20 0.35
HSD17B3 P37058 1/20 0.35

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
SCHEMBL15617162 0.89 TDP1 (0.41) SLC6A2HTR2AHTR2CSLC6A4MMP2
SCHEMBL13494346 0.83 HTR2A (0.47) SLC6A2HTR2AHTR2CSLC6A4MMP2
SCHEMBL6865807 0.83 DRD2 (0.39) HTR2AHTR2CTRPV1TSHRHTT
SCHEMBL6823296 0.82 HTR2A (0.50) HTR2AHTR2CTSHRHTT
SCHEMBL3284717 0.80 HTR2A (0.50) HTR2A
SCHEMBL12272087 0.79 ADRA2A (0.43) SLC6A2HTR2AHTR2CSLC6A4TDP1
SCHEMBL1707537 0.78 HTR2A (0.42) SLC6A2HTR2AHTR2CSLC6A4TRPV1
Bromide SCHEMBL5695364 0.77 HTR2A (0.41) SLC6A2HTR2AHTR2CSLC6A4TRPV1
Bromide SCHEMBL5695365 0.77 HTR2A (0.41) SLC6A2HTR2AHTR2CSLC6A4TRPV1
SCHEMBL5263777 0.76 TSHR (0.50) L3MBTL1CES2TSHRHTT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901310-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2014-12-02 US disclosed
US-8901310-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2014-12-02 US disclosed
EP-2307375-B1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER (US) 2014-11-19 EP disclosed
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. 2014-10-23 US disclosed
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. 2014-10-23 US disclosed
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. (US) 2014-05-22 US disclosed
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods PFIZER INC. (US) 2014-05-22 US disclosed
US-8552035-B2 Phenanthrenone compounds, compositions and methods PFIZER INC. (US) 2013-10-08 US disclosed
US-8552035-B2 Phenanthrenone compounds, compositions and methods PFIZER INC. (US) 2013-10-08 US disclosed
US-8445520-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2013-05-21 US disclosed
US-7598231-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2009-10-06 US disclosed
US-7598231-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2009-10-06 US disclosed
US-7547714-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease PFIZER, INC. (US) 2009-06-16 US disclosed
US-7547714-B2 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease PFIZER, INC. (US) 2009-06-16 US disclosed
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction PFIZER, INC. (US) 2008-12-18 US disclosed
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction PFIZER, INC. (US) 2008-12-18 US disclosed
WO-2008093227-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2008-08-07 WO disclosed
US-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2008-08-07 US disclosed
US-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression PFIZER, INC. (US) 2008-08-07 US disclosed
WO-2008093236-A1 TRICYCLIC COMPOUNDS AND THEIR USE AS GLUCOCORTICOID RECEPTOR MODULATORS PFIZER PRODUCTS INC. (US) 2008-08-07 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 (4 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-20080188443-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4b,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; modulators of the glucocorticoid receptor; asthma, dermatitis, inflammatory bowel disease, Alzheimer's disease, psychotic major depression NR3C1, NR3C2, MC2R SLC6A2 1717/4885HTR2A 298/4885HTR2C 122/4885
US-20140142316-A1 Tricyclic Compounds, Compositions, And Methods NR3C2, NR3C1, MC2R SLC6A2 815/4885HTR2A 673/4885HTR2C 292/4885
US-20140316139-A1 Tricyclic Compounds, Compositions, And Methods NR3C2, NR3C1, MC2R SLC6A2 815/4885HTR2A 673/4885HTR2C 292/4885
US-20080312294-A1 (4 beta S,7R,8 alpha R)-4 beta -benzyl-7-hydroxy-N-(2-methylpyridin-3-yl)-7-(trifluoromethyl)-4 beta ,5,6,7,8,8 alpha ,9,10-octahydrophenanthrene-2-carboxamide; glucocorticoid receptor modulators; antiinflammatory agents; Alzheimer's disease; side effect reduction NR3C1, NR3C2, MC2R SLC6A2 1204/4885HTR2A 371/4885HTR2C 234/4885

“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.