SCHEMBL4334361

SCHEMBL4334361

CCn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC(CCOc2ccc(C#N)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.40
KMT2A Q03164 1/20 0.40
OPRD1 P41143 1/20 0.39
HRH3 Q9Y5N1 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 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
SCHEMBL4324437 0.91 MEN1 (0.41) MEN1KMT2AOPRD1
SCHEMBL4324388 0.67 OPRM1 (0.34) OPRD1CYP3A4CYP2D6
SCHEMBL4334366 0.67 MEN1 (0.42) MEN1HRH3
SCHEMBL4339366 0.66 OPRK1 (0.49) OPRD1
SCHEMBL4324440 0.66 MEN1 (0.43) MEN1KMT2AHRH3
SCHEMBL4324416 0.66 OPRM1 (0.66) OPRD1
SCHEMBL4335933 0.65 OPRM1 (0.35) OPRD1ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4327185 0.65 OPRK1 (0.66) OPRD1
SCHEMBL13597009 0.64 DPP4 (0.55) MEN1KMT2AOPRD1ALDH1A1CYP2D6
SCHEMBL9186128 0.64 MEN1 (0.67) MEN1KMT2AOPRD1HRH3ALDH1A1

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 3300/4885KMT2A 2407/4885OPRD1 178/4885

“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.