SCHEMBL4536253

SCHEMBL4536253

FC(F)Oc1cc(CBr)ccn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.40
▸ HCRTR2 O43614 1/20 0.40
▸ LOXL2 Q9Y4K0 6/20 0.40
▸ LOX P28300 3/20 0.40
▸ UTRN P46939 1/20 0.36
▸ GRM2 Q14416 6/20 0.33
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ PDE4A P27815 2/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ DAO P14920 1/20 0.31
▸ PTGES O14684 1/20 0.30

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
SCHEMBL28806544 0.86 HCRTR1 (0.38) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL1437199 0.82 RECQL (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL14925194 0.82 HCRTR1 (0.40) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL13164105 0.82 LOXL2 (0.61) HCRTR1HCRTR2LOXL2LOX
SCHEMBL18083206 0.82 NOS3 (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL30329140 0.82 RECQL (0.47) HCRTR1HCRTR2LOXL2LOXUTRN
Hydrochloric Acid SCHEMBL25210344 0.81 LOXL2 (0.59) HCRTR1HCRTR2LOXL2LOX
SCHEMBL17000198 0.79 LOXL2 (0.41) HCRTR1HCRTR2LOXL2LOXUTRN
SCHEMBL31018746 0.79 LOXL2 (0.45) HCRTR1HCRTR2LOXL2LOXUTRN
Hydrochloric Acid SCHEMBL30500402 0.78 LOXL2 (0.44) HCRTR1HCRTR2LOXL2LOXUTRN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4692085-A2 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS Nxera Pharma UK Limited (GB) 2026-02-11 — — EP disclosed
EP-4041388-B1 PROSTAGLANDIN EP4 RECEPTOR ANTAGONIST COMPOUNDS NXERA PHARMA UK LTD (GB) 2025-11-26 — — EP disclosed
US-9242970-B2 Lactam derivatives useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-01-26 — — US disclosed
EP-2915812-A1 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators Merck Sharp & Dohme Corp. (US) 2015-09-09 — — EP disclosed
EP-2638008-B1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-07-01 — — EP disclosed
EP-2473048-B1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2015-03-25 — — EP disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME (US) 2014-12-11 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
US-8846702-B2 Pyranyl aryl methyl benzoquinazolinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2014-09-30 — — US disclosed
EP-2638008-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-09-18 — — EP disclosed
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-12 — — US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
US-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP (US) 2012-06-21 — — US disclosed
WO-2012063207-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-05-18 — — WO disclosed
WO-2011025851-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME CORP. (US) 2011-03-03 — — 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 (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-20120157438-A1 PYRANYL ARYL METHYL BENZOQUINAZOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, CHRM2, OPRL1 HCRTR1 199/4885HCRTR2 237/4885LOXL2 4622/4885
US-20130237525-A1 LACTAM DERIVATIVES USEFUL AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R HCRTR1 2/4885HCRTR2 1/4885LOXL2 1042/4885
US-20140364395-A1 Pyranyl Aryl Methyl Benzoquinolinone M1 Receptor Positive Allosteric Modulators CHRM1, OPRL1, CHRM2 HCRTR1 177/4885HCRTR2 192/4885LOXL2 4625/4885

“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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