SCHEMBL8236258

SCHEMBL8236258

O=C(NC1CCN(Cc2ccccc2)C1)c1ccc(I)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.86
SIGMAR1 Q99720 2/20 0.86
CYP1A2 P05177 1/20 0.86
CYP3A4 P08684 1/20 0.86
CYP2D6 P10635 1/20 0.86
CYP2C9 P11712 1/20 0.86
TSHR P16473 1/20 0.86
MAPK1 P28482 1/20 0.86
CYP2C19 P33261 1/20 0.86
DRD2 P14416 15/20 0.80
DRD4 P21917 15/20 0.80
HTR2A P28223 1/20 0.68
NAMPT P43490 1/20 0.67
SLC6A12 P48065 1/20 0.67
MCHR1 Q99705 1/20 0.67

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
SCHEMBL2900269 1.00 TMEM97 (0.86) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL3366478 0.93 SIGMAR1 (1.00) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL7694199 0.91 DRD2 (0.85) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL7694198 0.91 DRD2 (0.85) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8707354 0.89 DRD2 (1.00) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL11555632 0.89 DRD2 (0.82) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8706290 0.89 DRD2 (1.00) TMEM97SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8706273 0.86 DRD2 (0.89) DRD2DRD4HTR2ANAMPT
SCHEMBL8738231 0.86 DRD2 (0.77) DRD2DRD4HTR2AMCHR1
SCHEMBL8738579 0.86 DRD2 (0.77) DRD2DRD4HTR2AMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816354-B2 Oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816354-B2 Oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-20090012089-A1 Oxazolidinone Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20090012089-A1 Oxazolidinone Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-01-08 US disclosed
US-20070275966-A1 Oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators NPS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070275966-A1 Oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators NPS PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
WO-2007078523-A2 5-PHENYL-3-BENZYL-0XAZ0LIDIN-2-0NE DERIVATIVES AND RELATED COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2007-07-12 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 (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-20070275966-A1 Oxazolidinone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM2 TMEM97 265/4885SIGMAR1 175/4885CYP1A2 1932/4885
US-20090012089-A1 Oxazolidinone Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 TMEM97 265/4885SIGMAR1 175/4885CYP1A2 1932/4885

“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.