SCHEMBL3090362

SCHEMBL3090362

Fc1ccc2c(c1)OCc1ccccc1/C2=C/Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 12/20 0.58
HTR2B P41595 3/20 0.51
CYP3A4 P08684 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP2D6 P10635 3/20 0.46
MAPK14 Q16539 2/20 0.45
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42
HRH1 P35367 3/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 2/20 0.41
SLC22A1 O15245 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL2251054 1.00 NR3C2 (0.58) NR3C2HTR2BCYP3A4CYP2C9CYP2D6
SCHEMBL2251060 1.00 NR3C2 (0.58) NR3C2HTR2BCYP3A4CYP2C9CYP2D6
SCHEMBL4038872 0.91 HTR2B (0.50) NR3C2HTR2BCYP3A4CYP2C9CYP2D6
SCHEMBL2253808 0.91 HTR2B (0.50) NR3C2HTR2BCYP3A4CYP2C9CYP2D6
SCHEMBL2253812 0.91 HTR2B (0.50) NR3C2HTR2BCYP3A4CYP2C9CYP2D6
SCHEMBL4999007 0.82 HTR2B (0.55) NR3C2HTR2BCYP2D6HRH1KCNH2
SCHEMBL4999010 0.82 HTR2B (0.55) NR3C2HTR2BCYP2D6HRH1KCNH2
SCHEMBL4039501 0.82 HTR2B (0.51) NR3C2HTR2BCYP2D6MAPK14HRH1
SCHEMBL4039503 0.82 HTR2B (0.51) NR3C2HTR2BCYP2D6MAPK14HRH1
SCHEMBL14177160 0.82 NR3C2 (0.55) NR3C2HTR2BCYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803814-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 US disclosed
EP-1519915-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2009-05-27 EP disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 US disclosed
EP-1697350-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2008-06-25 EP disclosed
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia ELI LILLY AND COMPANY (US) 2007-02-15 US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 US 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 (3 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-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 NR3C2 2/4885HTR2B 962/4885CYP3A4 385/4885
US-20070037788-A1 5-(3,8-Difluoro-6H-dibenzo[b,e]oxepin-11-ylidenemethyl)-1-(1-ethyl-pyrrolidin-3-yl) -1,3-dihydro-benzoimidazol-2-one; antiinflammatory, antidiabetic agent; electrolytes and water retention modulator; hypotensive, hypoglycemic agent; arrhythmias, myocardial fibrosis, osteoporosis, polyuria, polydipsia SLC5A1, REN, AQP1 NR3C2 151/4885HTR2B 4268/4885CYP3A4 3224/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 NR3C2 2/4885HTR2B 891/4885CYP3A4 381/4885

“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.