SCHEMBL4937053

SCHEMBL4937053

CCOC(=O)CCc1ccc(OCCCCBr)cc1O

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.55
▸ CNR1 P21554 4/20 0.47
▸ BRD4 O60885 1/20 0.47
▸ PTPN1 P18031 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
SCHEMBL5119219 0.87 CNR2 (0.54) CNR2CNR1
SCHEMBL3210374 0.85 POLB (0.50) CNR2CNR1
SCHEMBL27828649 0.84 ALDH1A1 (0.57) CNR2BRD4
SCHEMBL9118508 0.84 CNR2 (0.50) CNR2BRD4PTPN1
SCHEMBL4945941 0.83 POLB (0.61) CNR2CNR1
SCHEMBL3195979 0.81 POLB (0.51) CNR2
SCHEMBL6035972 0.80 POLB (0.68) —
SCHEMBL10635313 0.79 CYP4F2 (0.53) —
SCHEMBL434221 0.79 CYP4F2 (0.58) —
SCHEMBL3210297 0.78 CYP4F2 (0.51) CNR2

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 3 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
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 CNR2 88/4885CNR1 103/4885BRD4 1347/4885

“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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