SCHEMBL8258107

SCHEMBL8258107

Cc1ccc(Cl)cc1C1CCN(Cc2c(Cl)c(=O)n(-c3ccccc3)n2C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1B P35368 1/20 0.40
KCNH2 Q12809 1/20 0.39
NR2F2 P24468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 1/20 0.37

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
SCHEMBL4326764 0.92 SMN1; SMN2 (0.42) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL4333393 0.90 HTR1A (0.41) MEN1KMT2AOPRK1HTR1AADRA1B
SCHEMBL8260344 0.85 EPHX2 (0.38) MEN1KMT2AOPRM1HTR1AADRA1B
SCHEMBL4326762 0.84 SMN1; SMN2 (0.43) MEN1KMT2ASMN1; SMN2HTR1AADRA1B
SCHEMBL4324667 0.82 SMN1; SMN2 (0.53) SMN1; SMN2HTR1AADRA1BALDH1A1
SCHEMBL8260649 0.81 SMURF1 (0.40) MEN1KMT2AOPRM1OPRK1OPRL1
SCHEMBL4468748 0.78 MEN1 (0.49) MEN1KMT2AOPRK1HTR1AADRA1B
SCHEMBL4334544 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HTR1AADRA1BALDH1A1
SCHEMBL4332839 0.78 HTR1A (0.55) OPRM1HTR1AKCNH2ALDH1A1GAA
SCHEMBL4327923 0.77 ALDH1A1 (0.52) SMN1; SMN2HTR1AALDH1A1

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 MEN1 3300/4885KMT2A 2407/4885OPRM1 264/4885

“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.