SCHEMBL2404863

SCHEMBL2404863

[CH2]Cc1c[nH]c2cc(Cl)ccc12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.73
SLC6A4 P31645 3/20 0.60
HTR2A P28223 5/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
NR4A2 P43354 1/20 0.44
ADRB3 P13945 1/20 0.43
HTR2C P28335 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR1E P28566 1/20 0.42
HTR7 P34969 1/20 0.42
ADRA1A P35348 1/20 0.42

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
SCHEMBL1704752 0.85 GPR84 (0.73) GPR84SLC6A4HTR2ATRPM8HTR2C
SCHEMBL27929621 0.85 GPR84 (1.00) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL3280241 0.81 GPR84 (0.73) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL3195765 0.81 GPR84 (0.73) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL16540596 0.80 SLC6A4 (0.67) GPR84SLC6A4HTR2ATRPM8NR4A2
SCHEMBL5657225 0.80 SLC6A4 (0.67) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL8807278 0.80 SLC6A4 (0.67) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL24452687 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8NR4A2
SCHEMBL7716375 0.79 GPR84 (0.69) GPR84SLC6A4HTR2ATRPM8ALDH1A1
SCHEMBL1971111 0.79 HTR2A (0.76) GPR84SLC6A4HTR2ATRPM8HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN claimed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP claimed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
EP-1089997-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H.Lundbeck A/S (DK) 2001-04-11 EP claimed
WO-1999067237-A1 4,5,6 AND 7-INDOLE AND INDOLINE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-12-29 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-101528690-A Isoindoline derivatives for the treatment of arrhythmias ASTRAZENECA AB (SE) 2009-09-09 CN disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
EP-1519932-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY Cyclacel Limited (GB) 2005-04-06 EP disclosed
WO-2004005278-A1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LIMITED (GB) 2004-01-15 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 (3 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-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 GPR84 1506/4885SLC6A4 3358/4885HTR2A 2585/4885
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 GPR84 73/4885SLC6A4 781/4885HTR2A 46/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GPR84 3038/4885SLC6A4 2169/4885HTR2A 1827/4885

“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.