SCHEMBL2028047

SCHEMBL2028047

O=C1c2ccc(F)cc2CN1CC1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
HTR1A P08908 1/20 0.47
HTR2A P28223 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
ITGB3 P05106 6/20 0.41
ITGA2B P08514 6/20 0.41
ADAM17 P78536 4/20 0.41
DRD2 P14416 1/20 0.39
PER2 O15055 1/20 0.39
CRY2 Q49AN0 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
GRM5 P41594 1/20 0.39
SLC6A4 P31645 1/20 0.39
ITGA2 P17301 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
Hydrochloric Acid SCHEMBL5251453 0.99 PARP1 (0.47) PARP1HTR1AHTR2ATMEM97ITGB3
Hydrochloric Acid SCHEMBL5248392 0.88 PARP1 (0.47) PARP1HTR1AHTR2ATMEM97ITGB3
SCHEMBL2023236 0.84 DRD2 (0.50) PARP1HTR2AITGB3ITGA2BADAM17
SCHEMBL2025200 0.84 PARP1 (0.48) PARP1HTR1AHTR2ATMEM97ITGB3
Hydrochloric Acid SCHEMBL5247769 0.83 DRD2 (0.49) PARP1HTR2AITGB3ITGA2BADAM17
Hydrochloric Acid SCHEMBL5251064 0.83 PARP1 (0.47) PARP1HTR1AHTR2ATMEM97ITGB3
SCHEMBL2023747 0.82 GRM5 (0.47) PARP1HTR2AITGB3ITGA2BDRD2
SCHEMBL2030340 0.81 ADAM17 (0.48) PARP1HTR2AITGB3ITGA2BADAM17
Hydrochloric Acid SCHEMBL5251690 0.81 GRM5 (0.46) PARP1HTR2AITGB3ITGA2BDRD2
SCHEMBL17814222 0.81 PARP1 (0.58) PARP1HTR1AHTR2ATMEM97DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 PARP1 3945/4885HTR1A 333/4885HTR2A 701/4885

“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.