SCHEMBL1256758

SCHEMBL1256758

Fc1cc(F)cc([Zn]Br)c1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33

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
SCHEMBL1257838 0.73 — —
SCHEMBL449836 0.71 — —
SCHEMBL954349 0.69 — —
SCHEMBL29031998 0.67 CA12 (0.57) CA12CA1CA9CES2CES1
SCHEMBL29032005 0.67 CA12 (0.57) CA12CA1CA9CES2CES1
SCHEMBL30577822 0.67 CA12 (0.57) CA12CA1CA9CES2CES1
SCHEMBL28455177 0.67 CA12 (0.57) CA12CA1CA9CES2CES1
SCHEMBL3304004 0.63 IDO1 (0.41) CA12CA1CA9
SCHEMBL1256668 0.63 CES2 (0.36) CES2CES1
SCHEMBL504770 0.62 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 — — US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 — — US disclosed
US-7825265-B2 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. (US) 2010-11-02 — — US disclosed
EP-1343503-B1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2008-11-12 — — EP disclosed
WO-2008033894-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2008-03-20 — — WO disclosed
US-7309704-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2007-12-18 — — US disclosed
WO-2007056500-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-05-18 — — WO disclosed
EP-1747182-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTOR Acadia Pharmaceuticals Inc. (US) 2007-01-31 — — EP disclosed
US-20060122278-A1 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene ACADIA PHARMACEUTICALS INC. 2006-06-08 — — US disclosed
US-20060030588-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION 2006-02-09 — — US disclosed
US-6982267-B2 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION (US) 2006-01-03 — — US disclosed
US-20050256210-A1 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. 2005-11-17 — — US disclosed
WO-2005108337-A2 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTOR ACADIA PHARMACEUTICALS INC. (US) 2005-11-17 — — WO disclosed
US-6946476-B2 For therapy of metabolic and eating disorders such as obesity and hyperphagia, diabetes SCHERING CORPORATION (US) 2005-09-20 — — US disclosed
EP-1343503-A4 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2004-03-17 — — EP disclosed
US-20040006086-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists MERCK SHARP & DOHME CORP. 2004-01-08 — — US disclosed
EP-1343503-A1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS Schering Corporation (US) 2003-09-17 — — EP disclosed
US-20030055062-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists SCHERING CORPORATION 2003-03-20 — — US disclosed
WO-2002049648-A1 HETEROARYL UREA NEUROPEPTIDE Y Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2002-06-27 — — 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 (6 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-20030055062-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R CA12 4675/4885CA1 4481/4885CA9 2960/4885
US-20060122278-A1 di-aromatic compounds for treatment and prevention of diseases and disorders related to estrogen receptors; 2-fluoro-1-methoxy-4-(1-phenyl-cyclohexyl)-benzene GPER1, ESR1, ESR2 CA12 4235/4885CA1 4532/4885CA9 2735/4885
US-20040006086-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R CA12 4675/4885CA1 4481/4885CA9 2960/4885
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 CA12 3314/4885CA1 3770/4885CA9 2036/4885
US-20050256210-A1 Compounds with activity at estrogen receptors ESR2, GPER1, ESRRG CA12 4379/4885CA1 3986/4885CA9 3354/4885
US-20060030588-A1 Heteroaryl urea neuropeptide Y Y5 receptor antagonists NPY5R, NPY1R, NPY2R CA12 4647/4885CA1 4552/4885CA9 3031/4885

“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.

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