SCHEMBL4329704

SCHEMBL4329704

Cn1[nH]c(=O)c(Cl)c1C(CN1CCC2(CC1)C(=O)NCN2c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.56
OPRM1 P35372 13/20 0.56
OPRD1 P41143 13/20 0.56
OPRK1 P41145 13/20 0.56
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
MLNR O43193 1/20 0.53
NR1I2 O75469 1/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
GAA P10253 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL4322704 0.85 OPRM1 (0.69) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4327355 0.81 OPRM1 (0.58) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4325566 0.80 OPRM1 (0.73) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4331756 0.79 OPRM1 (0.72) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4327297 0.78 OPRM1 (0.68) OPRL1OPRM1OPRD1OPRK1SLC6A9
SCHEMBL13964192 0.77 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1MEN1
SCHEMBL4331585 0.77 OPRM1 (0.63) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4330933 0.77 OPRM1 (0.59) OPRL1OPRM1OPRD1OPRK1SLC6A9
SCHEMBL4319710 0.77 OPRM1 (0.66) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4331167 0.76 OPRM1 (0.71) OPRL1OPRM1OPRD1OPRK1MEN1

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 OPRL1 96/4885OPRM1 264/4885OPRD1 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.