SCHEMBL4322972

SCHEMBL4322972

Cn1[nH]c(=O)c(Br)c1C(c1ccccc1)N1CCC(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
EGFR P00533 2/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CCR5 P51681 1/20 0.37
FKBP1A P62942 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
SCHEMBL5317078 0.90 KDM4E (0.50) KDM4EMAPTSMN1; SMN2TSHRALDH1A1
SCHEMBL4340798 0.85 MGLL (0.41) KDM4EMAPTTSHRALDH1A1CYP2C19
SCHEMBL4326114 0.81 OPRM1 (0.43) KDM4EMAPTSMN1; SMN2ALDH1A1NPSR1
SCHEMBL4331366 0.78 OPRD1 (0.41) ALDH1A1
SCHEMBL4327141 0.75 OPRM1 (0.55)
SCHEMBL4323029 0.75 HDAC4 (0.43) CCR5
SCHEMBL23220928 0.73 SMN1; SMN2 (0.53) KDM4EMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4331215 0.73 BCHE (0.44) NPC1RAB9ACCR5
SCHEMBL7255633 0.72 KDM4E (0.56) KDM4EMAPTTSHRALDH1A1EGFR
SCHEMBL13287204 0.72 SMN1; SMN2 (0.57) MAPTSMN1; SMN2NPC1RAB9AEGFR

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 3 patents. 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
EP-1833800-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS AstraZeneca AB (SE) 2007-09-19 EP disclosed
WO-2006071730-A1 PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS ASTRAZENECA AB (SE) 2006-07-06 WO 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 KDM4E 3662/4885MAPT 731/4885SMN1; SMN2 1220/4885

“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.