SCHEMBL3756093

SCHEMBL3756093

[CH2]c1cc(F)ccc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.39
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAP2K4 P45985 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
METAP2 P50579 1/20 0.36
TOP1 P11387 1/20 0.36
GCGR P47871 1/20 0.36
MAPK14 Q16539 1/20 0.36
HTT P42858 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL3748931 0.86 PTGS2 (0.37) GPR3GCGRMAPK14
SCHEMBL3751706 0.83 MAPT (0.41) BACE1MAPTCYP1A2CYP2A6MAP2K4
SCHEMBL11665495 0.79 BACE1 (0.44) GPR3BACE1ALOX5MAPTCYP1A2
Ethylene SCHEMBL27852304 0.78 MEN1 (0.46) MAPTCYP1A2ADORA2AADORA1
SCHEMBL30216000 0.77 MEN1 (0.49) BACE1MAPTCYP1A2ADORA2AADORA1
SCHEMBL412228 0.77 MEN1 (0.49) BACE1MAPTCYP1A2ADORA2AADORA1
SCHEMBL27338047 0.77 MEN1 (0.47) BACE1ALOX5MAPTCYP1A2HTT
SCHEMBL30997630 0.76 MAPT (0.45) GPR3BACE1ALOX5MAPTCYP1A2
SCHEMBL6561402 0.76 PTGS2 (0.46) GPR3BACE1MAPTMETAP2TOP1
SCHEMBL14832985 0.76 ALOX5 (0.61) GPR3BACE1ALOX5MAPTHTT

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 14 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
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US disclosed
CN-1878762-B Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI 2010-10-27 CN 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
EP-1729754-B1 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES LILLY CO ELI (US) 2008-07-02 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
CN-1889940-A Treatment of personality changes due to hot flashes, impulse control disorders and systemic medical conditions LILLY CO ELI (US) 2007-01-03 CN disclosed
CN-1878762-A Morpholine derivatives as norepinephrine reuptake inhibitors LILLY CO ELI (US) 2006-12-13 CN 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 GPR3 2970/4885BACE1 1075/4885ALOX5 3924/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 GPR3 1523/4885BACE1 2731/4885ALOX5 1750/4885

“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.