SCHEMBL8260366

SCHEMBL8260366

COc1c(CN2CCN(c3cc(Cl)ccc3C)CC2)n(C)n(C2CCCC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
ADRA1B P35368 2/20 0.46
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
HTT P42858 1/20 0.41
ADAMTS5 Q9UNA0 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
MCOLN3 Q8TDD5 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
SCHEMBL4339053 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL4332497 0.91 ADRA1D (0.49) ADRA1BHTR1AADRA1DADRA1AMAPT
SCHEMBL4325887 0.90 ADRA1D (0.48) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL8259362 0.88 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL4322814 0.88 KDM4E (0.45) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL4325610 0.87 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL4334469 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL4339048 0.84 HTR2A (0.44) ALDH1A1MEN1KMT2ATSHRHTR1A
SCHEMBL4329762 0.82 ADRA1D (0.49) ADRA1BHTR1AADRA1DADRA1AMAPT
SCHEMBL4325914 0.81 ADRA1D (0.49) ALDH1A1MEN1KMT2ANPSR1LMNA

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
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
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 ALDH1A1 1785/4885MEN1 3300/4885KMT2A 2407/4885

“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.