SCHEMBL4335933

SCHEMBL4335933

CCn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC2(CC1)C(=O)NN=C2c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.35
OPRD1 P41143 15/20 0.35
OPRK1 P41145 15/20 0.35
OPRL1 P41146 15/20 0.35
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CYP2C9 P11712 2/20 0.31
ALDH1A1 P00352 1/20 0.31
USP2 O75604 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4325606 0.88 OPRM1 (0.35) OPRM1OPRD1OPRK1OPRL1PDE3B
SCHEMBL4324388 0.86 OPRM1 (0.34) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL4318607 0.80 OPRL1 (0.34) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4319335 0.79 MEN1 (0.36) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL4318374 0.76 OPRL1 (0.36) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4334663 0.76 HTR1A (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4329857 0.76 HTR1A (0.33) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4324416 0.75 OPRM1 (0.66) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4339366 0.74 OPRK1 (0.49) OPRM1OPRD1OPRK1OPRL1
SCHEMBL12701561 0.73 PDE3B (0.43) OPRM1OPRD1OPRK1PDE3BPDE3A

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 OPRM1 264/4885OPRD1 178/4885OPRK1 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.