SCHEMBL3754038

SCHEMBL3754038

O=C(NC1CCN(Cc2ccccc2)C1)C1c2ccccc2C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.55
DRD2 P14416 3/20 0.55
SIGMAR1 Q99720 4/20 0.50
CCR2 P41597 1/20 0.50
TACR2 P21452 1/20 0.48
TACR1 P25103 1/20 0.48
TP53 P04637 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
GAA P10253 1/20 0.47
TEAD1 P28347 1/20 0.46
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
BACE1 P56817 1/20 0.46

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
SCHEMBL3762625 0.81 TP53 (0.57) DRD4DRD2SIGMAR1TP53BCHE
SCHEMBL6417353 0.80 DRD2 (0.47) DRD4DRD2SIGMAR1CCR2TACR2
SCHEMBL3750652 0.80 SCN9A (0.60)
SCHEMBL5310457 0.78 DRD4 (0.78) DRD4DRD2SIGMAR1CCR2
SCHEMBL3172278 0.78 DRD4 (0.78) DRD4DRD2SIGMAR1CCR2
SCHEMBL3751868 0.76 KCNA5 (0.60) DRD4DRD2SIGMAR1CCR2TP53
SCHEMBL3756564 0.76 TP53 (0.77) TP53GAA
SCHEMBL6417356 0.76 DRD2 (0.46) DRD4DRD2SIGMAR1CCR2TACR2
SCHEMBL6417889 0.75 UBE2M (0.47) DRD4DRD2SIGMAR1TACR2TACR1
SCHEMBL3762830 0.73 SCN9A (0.57) TP53

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 8 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
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 DRD4 685/4885DRD2 712/4885SIGMAR1 881/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 DRD4 303/4885DRD2 233/4885SIGMAR1 648/4885

“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.