SCHEMBL3090299

SCHEMBL3090299

C=C1c2ccccc2COc2cc(F)ccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 8/20 0.49
MAPK14 Q16539 5/20 0.48
HTR2B P41595 1/20 0.45
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2D6 P10635 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL13616959 0.81 MAOB (0.52) HTR2BMAOBMAOACYP2D6ALDH1A1
SCHEMBL3098370 0.81 MAPK14 (0.68) NR3C2MAPK14MAOBMAOAAKR1B1
SCHEMBL15395917 0.80 MAOB (0.37) NR3C2MAPK14MAOB
SCHEMBL4039496 0.78 MAPK14 (0.53) NR3C2MAPK14HTR2BMAOB
SCHEMBL2251060 0.77 NR3C2 (0.58) NR3C2MAPK14HTR2BCYP3A4CYP2C9
SCHEMBL3090362 0.77 NR3C2 (0.58) NR3C2MAPK14HTR2BCYP3A4CYP2C9
SCHEMBL2251054 0.77 NR3C2 (0.58) NR3C2MAPK14HTR2BCYP3A4CYP2C9
SCHEMBL14177160 0.74 NR3C2 (0.55) NR3C2MAPK14HTR2BCYP3A4CYP2C9
SCHEMBL12065133 0.73 KCNH2 (0.47) NR3C2MAPK14HTR2BCYP3A4CYP2C9
SCHEMBL9749909 0.73 AKR1B1 (0.74) AKR1B1

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 11 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-7803814-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
US-7803814-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2010-09-28 US disclosed
EP-1697350-B1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS LILLY CO ELI (US) 2008-06-25 EP 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-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-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
EP-1697350-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005066161-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 WO disclosed
WO-2005066161-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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 (1 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-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 151/4885MAPK14 839/4885HTR2B 4268/4885

“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.