SCHEMBL4322971

SCHEMBL4322971

COc1c(C(c2ccccc2)N2CCC3(CC2)C(=O)N(Cc2ccc(F)cc2)N=C3c2ccccc2)n(C)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
OPRL1 P41146 6/20 0.33
OPRM1 P35372 5/20 0.33
MAPT P10636 2/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
HTR7 P34969 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CACNA1G O43497 1/20 0.32

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
SCHEMBL4321304 0.93 MEN1 (0.35) LMNANPSR1TSHRMEN1KMT2A
SCHEMBL4325137 0.89 MEN1 (0.37) LMNANPSR1TSHRMEN1KMT2A
SCHEMBL4323016 0.82 MEN1 (0.36) LMNANPSR1TSHRMEN1KMT2A
SCHEMBL4319335 0.81 MEN1 (0.36) LMNANPSR1TSHRMEN1KMT2A
SCHEMBL4327130 0.72 ALDH1A1 (0.41) LMNANPSR1TSHRMEN1KMT2A
SCHEMBL4318374 0.70 OPRL1 (0.36) OPRL1OPRM1HTR1ADRD2HTR7
SCHEMBL4329857 0.70 HTR1A (0.33) OPRL1OPRM1HTR1ADRD2HTR7
SCHEMBL4334663 0.70 HTR1A (0.33) OPRL1OPRM1HTR1ADRD2HTR7
SCHEMBL4318607 0.67 OPRL1 (0.34) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4321309 0.67 DRD2 (0.37) TSHROPRL1OPRM1MAPTDRD2

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
US-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders ASTRAZENECA AB (SE) 2009-03-12 US disclosed
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 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-20090069340-A1 Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders GRIN1, GRM1, GRIN3A LMNA 4231/4885NPSR1 55/4885TSHR 240/4885

“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.