SCHEMBL4319335

SCHEMBL4319335

CCn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC2(CC1)C(=O)N(Cc1ccc(F)cc1)N=C2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRL1 P41146 12/20 0.33
OPRM1 P35372 10/20 0.33
DRD2 P14416 2/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
OPRD1 P41143 6/20 0.33
OPRK1 P41145 6/20 0.33
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4323016 0.92 MEN1 (0.36) MEN1KMT2AATMLMNANPSR1
SCHEMBL4325137 0.91 MEN1 (0.37) MEN1KMT2AATMLMNANPSR1
SCHEMBL4318374 0.89 OPRL1 (0.36) OPRL1OPRM1DRD2HTR1AHTR7
SCHEMBL4329857 0.88 HTR1A (0.33) OPRL1OPRM1DRD2HTR1AHTR7
SCHEMBL4334663 0.88 HTR1A (0.33) OPRL1OPRM1DRD2HTR1AHTR7
SCHEMBL4318607 0.86 OPRL1 (0.34) OPRL1OPRM1OPRD1OPRK1
SCHEMBL4321304 0.82 MEN1 (0.35) MEN1KMT2AATMLMNANPSR1
SCHEMBL4322971 0.81 LMNA (0.38) MEN1KMT2AATMLMNANPSR1
SCHEMBL4328886 0.81 ALDH1A1 (0.36) LMNANPSR1OPRL1OPRM1DRD2
SCHEMBL4335933 0.79 OPRM1 (0.35) OPRL1OPRM1OPRD1OPRK1ALDH1A1

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 2407/4885ATM 1561/4885

“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.