SCHEMBL3880934

SCHEMBL3880934

FC(F)(F)c1ccc(C(Cl)Cl)cn1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
P2RX7 Q99572 17/20 0.41
DAO P14920 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL485040 0.84 TRPV4 (0.48) TRPV4P2RX7
SCHEMBL10758326 0.81 P2RX7 (0.33) TRPV4P2RX7
SCHEMBL14033326 0.80 P2RX7 (0.48) TRPV4P2RX7
SCHEMBL14033376 0.80 TRPV4 (0.44) TRPV4P2RX7CNR1CNR2
SCHEMBL2609310 0.79 TRPV4 (0.52) TRPV4P2RX7DAO
SCHEMBL15702107 0.78 TRPV4 (0.50) TRPV4P2RX7DAO
SCHEMBL23172264 0.77 TRPV4 (0.46) TRPV4P2RX7
SCHEMBL367869 0.76 TRPV4 (0.48) TRPV4P2RX7DAO
SCHEMBL21346253 0.76 TRPV4 (0.48) TRPV4P2RX7DAO
SCHEMBL19773439 0.76 TRPV4 (0.48) TRPV4P2RX7DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188139-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
CN-101119968-B Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE 2011-08-31 CN disclosed
EP-1848694-B1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 HOFFMANN LA ROCHE (CH) 2009-11-25 EP disclosed
US-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES JOLIDON SYNESE 2009-08-13 US disclosed
US-7557114-B2 Heterocyclic-substituted phenyl methanones HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
CN-101119968-A Heterocyclically substituted phenyl methanone derivatives as glycine transporter 1 inhibitors HOFFMANN LA ROCHE (CH) 2008-02-06 CN disclosed
EP-1848694-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F. Hoffmann-Roche AG (CH) 2007-10-31 EP disclosed
WO-2006082001-A1 HETEROCYCLIC SUBSTITUTED PHENYL METHANONES AS INHIBITORS OF THE GLYCINE TRANSPORTER 1 F.HOFFMANN-LA ROCHE AG (CH) 2006-08-10 WO disclosed
US-20060178381-A1 Heterocyclic-substituted phenyl methanones HOFFMANN-LA ROCHE INC. 2006-08-10 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 (2 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-20090203665-A1 HETEROCYCLIC-SUBSTITUTED PHENYL METHANONES CYP2B6, CYP2D6, CYP1A2 TRPV4 1638/4885P2RX7 882/4885DAO 3427/4885
US-20060178381-A1 Heterocyclic-substituted phenyl methanones CYP2B6, CYP2D6, CYP1A2 TRPV4 1638/4885P2RX7 882/4885DAO 3427/4885

“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.