SCHEMBL4322729

SCHEMBL4322729

Cn1[nH]c(=O)c(Br)c1C(OC(=O)C1(c2ccccc2)CCN(C(c2ccccc2)c2c(Br)c(=O)[nH]n2C)CC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
OPRM1 P35372 14/20 0.39
OPRK1 P41145 13/20 0.39
OPRD1 P41143 12/20 0.39
OPRL1 P41146 10/20 0.39
SLC22A1 O15245 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 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
SCHEMBL4341092 0.86 OPRL1 (0.41) OPRM1OPRK1OPRD1OPRL1ADRA1A
SCHEMBL4334485 0.85 KCNA3 (0.45) KCNA3OPRM1OPRK1OPRD1OPRL1
SCHEMBL4341190 0.85 OPRL1 (0.43) OPRM1OPRK1OPRD1OPRL1CYP3A4
SCHEMBL4330985 0.85 SMN1; SMN2 (0.44) OPRM1OPRK1OPRD1OPRL1SLC6A4
SCHEMBL4319367 0.84 ATM (0.52) KCNA3OPRM1OPRK1OPRD1SLC22A1
SCHEMBL4334115 0.81 OPRL1 (0.48) OPRM1OPRK1OPRD1OPRL1KCNH2
SCHEMBL4318217 0.77 ADRA1D (0.40) OPRM1OPRK1OPRD1OPRL1ADRA1A
SCHEMBL4325746 0.75 LMNA (0.48) OPRM1OPRK1OPRD1OPRL1ALDH1A1
SCHEMBL4333175 0.75 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1CYP3A4
SCHEMBL4326114 0.75 OPRM1 (0.43) OPRM1OPRK1OPRD1OPRL1ALDH1A1

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 KCNA3 403/4885OPRM1 264/4885OPRK1 169/4885

“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.