SCHEMBL3756908

SCHEMBL3756908

Cc1ccccc1-c1ccc(F)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.46
GPR3 P46089 1/20 0.45
PDE2A O00408 1/20 0.44
PDE10A Q9Y233 1/20 0.44
KCNA5 P22460 1/20 0.43
ACHE P22303 3/20 0.42
HSD11B1 P28845 1/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 1/20 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
SCHEMBL14039912 0.88 PDE3B (0.44) GPR3PDE2APDE10AKCNA5ACHE
SCHEMBL3750847 0.87 MAPK14 (0.50) S1PR1GPR3PDE2APDE10AACHE
SCHEMBL10304929 0.86 CYP1A2 (0.45) S1PR1GPR3PDE2APDE10AACHE
SCHEMBL17038887 0.85 FABP1 (0.40) S1PR1GPR3PDE2APDE10AKCNA5
SCHEMBL10304908 0.84 LMNA (0.46) S1PR1PDE2APDE10AACHEFLT3
SCHEMBL3756905 0.84 GPR3 (0.40) S1PR1GPR3PDE2APDE10AKCNA5
SCHEMBL3755862 0.83 PTPN1 (0.46) S1PR1PDE2APDE10AACHEMAPT
SCHEMBL15856465 0.81 CA12 (0.51) S1PR1GPR3KCNA5KDM4EHSD17B10
SCHEMBL3756100 0.80 ESR2 (0.59) GPR3TSHRCYP2A6
SCHEMBL3750586 0.79 DPP4 (0.46) S1PR1GPR3KCNA5HSD11B1MAPT

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 9 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
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
WO-2013050938-A1 3,7-DIAZABICYCLO[3.3.1]NONANE AND 9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-04-11 WO disclosed
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 S1PR1 1430/4885GPR3 2970/4885PDE2A 1307/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 S1PR1 2452/4885GPR3 1523/4885PDE2A 501/4885

“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.