SCHEMBL4334338

SCHEMBL4334338

CCN(Cc1ccccc1OC)C(=O)OC1CCN(C(c2ccccc2)c2c(Br)c(=O)[nH]n2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
CHRM5 P08912 1/20 0.37
BCHE P06276 8/20 0.37
ACHE P22303 8/20 0.37
TSPO P30536 1/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 1/20 0.36
CCR5 P51681 1/20 0.36
OPRM1 P35372 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR1 P25103 2/20 0.35

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
SCHEMBL4331366 0.89 OPRD1 (0.41) MEN1KMT2AOPRD1OPRK1OPRM1
SCHEMBL4341393 0.78 CHRM5 (0.40) MEN1KMT2ACHRM5BCHEALDH1A1
SCHEMBL5317078 0.74 KDM4E (0.50) MEN1KMT2AALDH1A1
SCHEMBL4331215 0.73 BCHE (0.44) BCHEACHECCR5
SCHEMBL4327141 0.72 OPRM1 (0.55) OPRD1OPRK1OPRM1
SCHEMBL4340798 0.71 MGLL (0.41) MEN1KMT2AOPRD1ALDH1A1
SCHEMBL4322972 0.71 KDM4E (0.39) CCR5ALDH1A1
SCHEMBL4323029 0.68 HDAC4 (0.43) OPRD1OPRK1CCR5OPRM1
SCHEMBL4325746 0.67 LMNA (0.48) MEN1KMT2AOPRD1OPRK1OPRM1
SCHEMBL4330985 0.65 SMN1; SMN2 (0.44) OPRD1OPRK1OPRM1ALDH1A1

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 1 patent. 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

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 3300/4885CRHBP 901/4885KMT2A 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.