SCHEMBL5021667

SCHEMBL5021667

O=C1N[C@@H](c2cccc(-c3ccccn3)n2)[C@H](c2ccccc2)O1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.60
LMNA P02545 3/20 0.49
CCR1 P32246 3/20 0.49
CCR5 P51681 3/20 0.49
CCR8 P51685 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TP53 P04637 1/20 0.49
ALPL P05186 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ALPI P09923 1/20 0.49
ALPG P10696 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5021666 1.00 GRM5 (0.60) GRM5LMNACCR1CCR5CCR8
SCHEMBL5022006 0.86 GRM5 (0.63) GRM5KDM4EALDH1A1GAARAB9A
SCHEMBL5022007 0.86 GRM5 (0.63) GRM5KDM4EALDH1A1GAARAB9A
SCHEMBL4561995 0.84 GRM5 (0.78) GRM5
SCHEMBL13585582 0.84 GRM5 (0.78) GRM5
SCHEMBL5021379 0.82 GRM5 (0.56) GRM5KDM4ENPC1ALDH1A1GAA
SCHEMBL5021380 0.82 GRM5 (0.56) GRM5KDM4ENPC1ALDH1A1GAA
SCHEMBL5021926 0.81 GRM5 (0.62) GRM5KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL4538347 0.81 GRM5 (0.63) GRM5
SCHEMBL5021676 0.81 GRM5 (0.57) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885LMNA 4607/4885CCR1 2938/4885

“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.