SCHEMBL4945941

SCHEMBL4945941

O=C(O)CCc1ccc(OCCCCBr)cc1O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ CNR2 P34972 11/20 0.49
▸ CNR1 P21554 4/20 0.46
▸ FFAR1 O14842 1/20 0.46

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
SCHEMBL4937053 0.83 CNR2 (0.55) CNR2CNR1
SCHEMBL8953421 0.82 POLB (0.71) POLBCNR2CNR1FFAR1
SCHEMBL4120040 0.77 CNR2 (0.72) CNR2CNR1
SCHEMBL4109823 0.77 CNR2 (0.72) CNR2CNR1
SCHEMBL4115623 0.77 CNR2 (0.72) CNR2CNR1
SCHEMBL10635192 0.77 FFAR1 (0.66) POLBFFAR1
SCHEMBL27682805 0.77 FFAR1 (0.66) FFAR1
SCHEMBL21317665 0.76 POLB (1.00) POLBFFAR1
SCHEMBL7627086 0.74 POLB (0.53) POLBCNR2CNR1
SCHEMBL27577151 0.74 CNR2 (0.63) POLBCNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 — — US disclosed
CN-1993326-A Heterocyclic acetophenone potentiators of metabotropic glutamate receptors MERCK & CO INC (US) 2007-07-04 — — CN disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 — — EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 — — 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 POLB 4114/4885CNR2 88/4885CNR1 103/4885

“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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