SCHEMBL16755876

SCHEMBL16755876

COc1cccnc1C1CCN(c2cnnc(NNC(=O)CC(F)(F)F)c2Cl)CC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 12/20 0.41
GRM2 Q14416 5/20 0.40
CHRM2 P08172 2/20 0.40
MALT1 Q9UDY8 2/20 0.36
RBP4 P02753 1/20 0.36

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
SCHEMBL16755836 0.85 GRM2 (0.56) GRM2
SCHEMBL16755854 0.82 GRM2 (0.56) GRM2
SCHEMBL16755901 0.82 GRM2 (0.56) GRM2
SCHEMBL16755929 0.82 GRM2 (0.48) GRM2
SCHEMBL16755821 0.81 GRM2 (0.50) GRM2
SCHEMBL16755743 0.80 GRM2 (0.53) GRM2RBP4
SCHEMBL16755713 0.80 GRM2 (0.54) GRM2
SCHEMBL16755851 0.80 CHRM4 (0.47) CHRM4GRM2CHRM2MALT1
SCHEMBL16755952 0.80 GRM2 (0.51) CHRM4GRM2
SCHEMBL16755872 0.80 GRM2 (0.51) GRM2

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
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed
US-9682980-B2 Positive allosteric modulators of mGluR2 BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-20 US disclosed
US-20150152113-A1 Positive Allosteric Modulators of MGLUR2 BRISTOL-MYERS SQUIBB COMPANY 2015-06-04 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 (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-20150152113-A1 Positive Allosteric Modulators of MGLUR2 GRM2, GRM1, GRIN2A CHRM4 331/4885GRM2 1/4885CHRM2 347/4885

“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.