SCHEMBL3748937

SCHEMBL3748937

Cc1cc(F)ccc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.46
PDE3A Q14432 3/20 0.46
NMT1 P30419 1/20 0.45
PTGS2 P35354 2/20 0.45
ESR2 Q92731 2/20 0.42
ACHE P22303 1/20 0.42
GRM5 P41594 1/20 0.41
MAPK14 Q16539 2/20 0.41
GCGR P47871 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
HSD17B1 P14061 1/20 0.40
ABL1 P00519 1/20 0.40
ESR1 P03372 1/20 0.39
OXTR P30559 1/20 0.39
AVPR1A P37288 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
SCHEMBL11693574 0.87 ESR2 (0.55) NMT1PTGS2ESR2HSD17B1ESR1
SCHEMBL13354684 0.87 NMT1 (0.41) PDE3BPDE3ANMT1PTGS2MAPK14
SCHEMBL13906327 0.86 ACHE (0.50) PDE3BPDE3APTGS2ESR2ACHE
SCHEMBL3756100 0.86 ESR2 (0.59) PDE3BPDE3ANMT1PTGS2ESR2
SCHEMBL21938179 0.85 ACHE (0.46) PDE3BPDE3APTGS2ACHEMAPK14
SCHEMBL14039912 0.85 PDE3B (0.44) PDE3BPDE3ANMT1PTGS2ESR2
SCHEMBL8007011 0.84 PTGS1 (0.47) NMT1PTGS2ESR2GRIN1GRIN2B
SCHEMBL11691477 0.84 SYK (0.48) MAPK14GCGRABL1
SCHEMBL12148763 0.83 ACHE (0.43) PDE3BPDE3APTGS2ACHEMAPK14
SCHEMBL23319252 0.83 ESR2 (0.66) PDE3BPDE3AESR2HSD17B1ESR1

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 11 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
EP-3645501-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-08-23 EP disclosed
EP-3101088-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-11-29 EP disclosed
EP-3235892-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2017-10-25 EP 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 PDE3B 1215/4885PDE3A 853/4885NMT1 1227/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PDE3B 408/4885PDE3A 385/4885NMT1 2923/4885

“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.