SCHEMBL4539141

SCHEMBL4539141

COc1cccc([C@@H]2OC(=O)N[C@H]2c2cccc(Br)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.67
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
HIF1A Q16665 3/20 0.50
MEN1 O00255 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP2C9 P11712 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HTR2C P28335 2/20 0.42

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
SCHEMBL16319384 1.00 GRM5 (0.67) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4540749 1.00 GRM5 (0.67) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4538662 1.00 GRM5 (0.67) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4536917 1.00 GRM5 (0.67) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4543530 0.87 GRM5 (0.60) GRM5
SCHEMBL5021757 0.87 GRM5 (0.77) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5021739 0.86 GRM5 (0.69) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL4537609 0.85 GRM5 (0.62) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5021547 0.84 GRM5 (0.66) GRM5KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL5021180 0.84 GRM5 (0.73) GRM5KMT2ACYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8691821-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-08 US disclosed
US-8691821-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-08 US disclosed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 EP disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885KMT2A 3071/4885CYP3A4 3829/4885

“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.