SCHEMBL1786709

SCHEMBL1786709

O=Cc1c(F)ccc(OBOc2ccc(F)c(C=O)c2F)c1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP2D6 P10635 1/20 0.35

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
SCHEMBL12027793 0.78 CYP2C9 (0.38) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL953686 0.78 ERN1 (0.44) CYP2C9CYP3A4CYP2C19
SCHEMBL2256657 0.76 CYP2C9 (0.40) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL288166 0.74 CES2 (0.34)
SCHEMBL1786797 0.74 ALDH1A1 (0.32)
SCHEMBL31685229 0.74 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL415893 0.74 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL2257043 0.73 HTR2C (0.42) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL12235261 0.71 ERN1 (0.42) CYP2C9CYP3A4CYP2C19CYP2D6
SCHEMBL878717 0.70 L3MBTL1 (0.52) CYP2C9CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250128188-A1 BORONIC ACID CONTAINING AFFINITY MEMBRANES DONALDSON COMPANY, INC. 2025-04-24 US disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US 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 (4 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 CYP2C9 2438/4885CYP3A4 1734/4885CYP2C19 2309/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 CYP2C9 4394/4885CYP3A4 3961/4885CYP2C19 3667/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CYP2C9 2438/4885CYP3A4 1734/4885CYP2C19 2309/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 CYP2C9 2438/4885CYP3A4 1734/4885CYP2C19 2309/4885

“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.