SCHEMBL6894344

SCHEMBL6894344

O=C1CCN(CC2CC2)C(=O)C1Br

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
NOTUM Q6P988 1/20 0.32
GRM2 Q14416 2/20 0.31
KCNH2 Q12809 1/20 0.31
FPR2 P25090 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
SCHEMBL15219632 0.77 INMT (0.31)
SCHEMBL7619079 0.75 FPR2 (0.35) GRM5GRM2KCNH2FPR2
SCHEMBL7619075 0.75 FPR2 (0.35) GRM5GRM2KCNH2FPR2
SCHEMBL7510369 0.75 FPR2 (0.35) GRM5GRM2KCNH2FPR2
SCHEMBL8394065 0.70 FKBP1A (0.36)
SCHEMBL6894808 0.67 MEN1 (0.31)
SCHEMBL22216460 0.67 GRM5 (0.39) GRM5NOTUMGRM2KCNH2
SCHEMBL8506958 0.67 CHRM5 (0.45)
SCHEMBL22216211 0.65 GRM5 (0.38) GRM5NOTUMGRM2
SCHEMBL7384750 0.64 KDM4E (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 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-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 GRM5 1/4885NOTUM 2659/4885GRM2 3/4885

“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.