SCHEMBL4334663

SCHEMBL4334663

CCC#CCN1N=C(c2ccc(F)cc2)C2(CCN(C(c3ccccc3)c3c(Br)c(=O)[nH]n3CC)CC2)C1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR7 P34969 1/20 0.33
OPRL1 P41146 7/20 0.32
OPRM1 P35372 6/20 0.32
OPRD1 P41143 3/20 0.32
OPRK1 P41145 3/20 0.32

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
SCHEMBL4329857 0.94 HTR1A (0.33) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4318374 0.92 OPRL1 (0.36) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4318607 0.89 OPRL1 (0.34) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4319335 0.88 MEN1 (0.36) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4323016 0.79 MEN1 (0.36) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4325137 0.79 MEN1 (0.37) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4335933 0.76 OPRM1 (0.35) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4334661 0.71 DRD2 (0.33) DRD2OPRL1OPRM1
SCHEMBL4321304 0.71 MEN1 (0.35) HTR1ADRD2HTR7OPRL1OPRM1
SCHEMBL4328886 0.71 ALDH1A1 (0.36) HTR1ADRD2HTR7OPRL1OPRM1

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 HTR1A 38/4885DRD2 121/4885HTR7 97/4885

“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.