SCHEMBL3758554

SCHEMBL3758554

O=C(Oc1ccccc1C1CCCC1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.52
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
DRD1 P21728 2/20 0.41
DRD3 P35462 2/20 0.41
ADRA2A P08913 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
KCNH2 Q12809 1/20 0.41
HTR1D P28221 2/20 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
SCHEMBL28006501 0.80 PTGDR2 (0.62) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL789204 0.80 PTGDR2 (0.62) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL789205 0.79 PTGDR2 (0.65) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL1790688 0.79 PTGDR2 (0.56) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL11710146 0.79 PTGDR2 (0.56) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL1793106 0.78 PTGDR2 (0.59) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL28327207 0.78 ELANE (0.56) PTGDR2MEN1KMT2ADRD1DRD3
SCHEMBL28404237 0.77 ELANE (0.47) KMT2APTGS1MAPT
SCHEMBL5185062 0.76 PTGDR2 (0.57) PTGDR2MEN1KMT2ACYP1A2CYP2C9
SCHEMBL11323401 0.76 PTGDR2 (0.57) PTGDR2MEN1KMT2ADRD1DRD3

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 4 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 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 PTGDR2 995/4885MEN1 538/4885KMT2A 3483/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 PTGDR2 282/4885MEN1 2400/4885KMT2A 3979/4885

“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.