SCHEMBL4335947

SCHEMBL4335947

COc1ccc(C)cc1C1=CCN(C(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
QDPR P09417 1/20 0.48
CCNT1 O60563 14/20 0.42
CDK9 P50750 14/20 0.42
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL1094340 0.84 TRPV1 (0.45) QDPRCCNT1CDK9
SCHEMBL20993990 0.84 MAPT (0.50) QDPRCCNT1CDK9ALOX15MAPT
SCHEMBL5511829 0.83 QDPR (0.43) QDPRPOLBMAPT
SCHEMBL5511826 0.83 QDPR (0.43) QDPRPOLBMAPT
SCHEMBL21714595 0.81 MAPT (0.44) QDPRPOLBALOX15MAPT
SCHEMBL5386097 0.80 QDPR (0.65) QDPRPOLBALOX15
SCHEMBL22324848 0.77 QDPR (0.58) QDPRCCNT1CDK9POLBALOX15
SCHEMBL16874745 0.77 QDPR (0.58) QDPRCCNT1CDK9POLBALOX15
SCHEMBL5460061 0.77 MAPT (0.60) QDPRPOLBMAPT
SCHEMBL28727024 0.76 MAPT (0.44) QDPRCCNT1CDK9POLBALOX15

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 QDPR 873/4885CCNT1 3131/4885CDK9 2561/4885

“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.