SCHEMBL4333010

SCHEMBL4333010

FC(F)Oc1ccc(Cl)cc1C1=CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.51
SIGMAR1 Q99720 1/20 0.49
CCNT1 O60563 2/20 0.48
CDK9 P50750 2/20 0.48
EHMT2 Q96KQ7 2/20 0.48
EHMT1 Q9H9B1 2/20 0.48
HTR6 P50406 8/20 0.43
MAPT P10636 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HTR3A P46098 1/20 0.42
INPPL1 O15357 1/20 0.39

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
SCHEMBL4329522 0.82 HTR2C (0.55) HTR2CSIGMAR1CCNT1CDK9EHMT2
SCHEMBL4329636 0.74 HTR2C (0.60) HTR2CSIGMAR1CCNT1CDK9EHMT2
SCHEMBL17155164 0.70 HTR2C (0.55) HTR2CSIGMAR1CCNT1CDK9HTR6
SCHEMBL28107872 0.70 QDPR (0.51) HTR2CSIGMAR1CCNT1CDK9
SCHEMBL17154231 0.70 HTR2C (0.51) HTR2CSIGMAR1CCNT1CDK9HTR6
Hydrochloric Acid SCHEMBL652812 0.69 HTR2C (1.00) HTR2CSIGMAR1HTR6MAPTHTR1B
SCHEMBL27598376 0.69 HTR2C (0.46) HTR2CSIGMAR1CCNT1CDK9HTR6
SCHEMBL4049394 0.68 HTR2C (0.55) HTR2CSIGMAR1CCNT1CDK9HTR6
SCHEMBL3547373 0.68 CCNT1 (0.61) CCNT1CDK9EHMT2EHMT1
SCHEMBL27823155 0.68 HTR2C (0.55) HTR2CSIGMAR1CCNT1CDK9HTR6

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 HTR2C 106/4885SIGMAR1 247/4885CCNT1 3131/4885

“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.