SCHEMBL1707537

SCHEMBL1707537

Brc1ccc2c(c1)CCC(=[N+]1CCCC1)C2Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
SLC6A4 P31645 1/20 0.42
TRPV1 Q8NER1 1/20 0.33
CAMK2A Q9UQM7 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PGR P06401 1/20 0.32
KDM1A O60341 3/20 0.32
ADRB2 P07550 1/20 0.32
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
Bromide SCHEMBL5695365 0.99 HTR2A (0.41) HTR2ASLC6A2HTR2CSLC6A4TRPV1
Bromide SCHEMBL5695364 0.99 HTR2A (0.41) HTR2ASLC6A2HTR2CSLC6A4TRPV1
SCHEMBL1708540 0.78 SLC6A2 (0.47) HTR2ASLC6A2HTR2CSLC6A4TRPV1
SCHEMBL13494346 0.78 HTR2A (0.47) HTR2ASLC6A2HTR2CSLC6A4TRPV1
Bromide SCHEMBL13835350 0.74 HTR2A (0.44) HTR2ASLC6A2SLC6A4KDM1AMAOB
SCHEMBL1707363 0.69 SLC6A4 (0.39) HTR2ASLC6A2HTR2CSLC6A4TRPV1
SCHEMBL16473204 0.67 HTR2A (0.38) HTR2ASLC6A2HTR2CSLC6A4PGR
SCHEMBL15617162 0.67 TDP1 (0.41) HTR2ASLC6A2HTR2CSLC6A4PGR
SCHEMBL10690532 0.65 CYP19A1 (0.50)
SCHEMBL9448056 0.64 STS (0.39) TRPV1ADRB2

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 30 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-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-8445520-B2 Tricyclic compounds, compositions, and methods PFIZER INC. (US) 2013-05-21 US disclosed
US-20120157502-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER INC. (US) 2012-06-21 US disclosed
US-20120157502-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS PFIZER INC. (US) 2012-06-21 US disclosed
US-20120095062-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS PFIZER INC. (US) 2012-04-19 US disclosed
US-20120095062-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS PFIZER INC. (US) 2012-04-19 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 HTR2A 298/4885SLC6A2 1717/4885HTR2C 122/4885
US-20120095062-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS, AND METHODS NR3C2, NR3C1, MC2R HTR2A 673/4885SLC6A2 815/4885HTR2C 292/4885
US-20120157502-A1 PHENANTHRENONE COMPOUNDS, COMPOSITIONS AND METHODS NR3C2, NR3C1, MC2R HTR2A 563/4885SLC6A2 531/4885HTR2C 315/4885
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 HTR2A 371/4885SLC6A2 1204/4885HTR2C 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.