SCHEMBL4326974

SCHEMBL4326974

Cn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC(OC(=O)Nc2ccccc2Oc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 13/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4331215 0.84 BCHE (0.44) CHRM3
SCHEMBL4340798 0.77 MGLL (0.41) KDM4EPOLBMEN1KMT2A
SCHEMBL4331366 0.75 OPRD1 (0.41) CHRM3POLBMEN1KMT2A
SCHEMBL4341393 0.75 CHRM5 (0.40) CHRM3SCN1ASCN2ASCN3APOLB
SCHEMBL4334338 0.73 MEN1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL5317078 0.72 KDM4E (0.50) PKMKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL4322972 0.71 KDM4E (0.39) PKMKDM4ESMN1; SMN2
SCHEMBL4326973 0.69 CHRM3 (0.45) CHRM3RECQLKDM4E
SCHEMBL4327141 0.69 OPRM1 (0.55) CHRM3
SCHEMBL4341190 0.67 OPRL1 (0.43) CHRM3RECQLSMN1; SMN2

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 CHRM3 110/4885LMNA 4231/4885L3MBTL1 3579/4885

“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.