SCHEMBL5243199

SCHEMBL5243199

O=C(O)N1CCC(CN2Cc3cc(F)ccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR2A P28223 1/20 0.53
TMEM97 Q5BJF2 1/20 0.53
GRM5 P41594 3/20 0.41
THRB P10828 1/20 0.39
PER2 O15055 1/20 0.39
CRY2 Q49AN0 1/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
PARP1 P09874 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ADAM17 P78536 2/20 0.37

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
SCHEMBL5250640 0.91 HTR1A (0.53) HTR1AHTR2ATMEM97THRBPER2
SCHEMBL5242210 0.86 HTR1A (0.43) HTR1AHTR2ATMEM97GRM5THRB
SCHEMBL2029501 0.86 HTR1A (0.43) HTR1AHTR2ATMEM97GRM5THRB
SCHEMBL2023076 0.84 GPR119 (0.48) HTR1AHTR2ATMEM97
SCHEMBL5240742 0.83 ADAM17 (0.45) HTR1AHTR2ATMEM97THRBADAM17
SCHEMBL5240763 0.83 GRM5 (0.48) HTR1AHTR2ATMEM97GRM5PARP1
SCHEMBL5250167 0.83 HTR1A (0.60) HTR1AHTR2ATMEM97GRM5PARP1
SCHEMBL5254146 0.81 HTR2A (0.81) HTR1AHTR2ATMEM97
Hydrochloric Acid SCHEMBL5248496 0.80 HTR2A (0.79) HTR1AHTR2ATMEM97
SCHEMBL2028047 0.80 PARP1 (0.48) HTR1AHTR2ATMEM97GRM5PER2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP claimed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO claimed
EP-1260512-B1 NOVEL CYCLIC AMIDE DERIVATIVES MITSUBISHI PHARMA CORP (JP) 2007-07-04 EP disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
US-7166617-B2 Cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2007-01-23 US disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-20030212094-A1 Novel cyclic amide derivatives MITSUBISHI PHARMA CORPORATION (JP) 2003-11-13 US disclosed
EP-1260512-A1 NOVEL CYCLIC AMIDE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2002-11-27 EP 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-20030212094-A1 Novel cyclic amide derivatives SIGMAR1, OPRM1, OPRD1 HTR1A 79/4885HTR2A 153/4885TMEM97 10/4885

“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.