SCHEMBL3754846

SCHEMBL3754846

O=C(NCCc1c[nH]c2ccccc12)C1c2ccccc2C(=O)N1CCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
HTR1A P08908 3/20 0.51
HTR1B P28222 2/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
ALDH1A1 P00352 1/20 0.50
FAAH O00519 1/20 0.50
GOT1 P17174 1/20 0.49
MC4R P32245 1/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
MTNR1A P48039 2/20 0.48
KCNH2 Q12809 1/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 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
SCHEMBL3754052 0.91 SIRT1 (0.52) CDK4CCND1ALDH1A1BCHEACHE
SCHEMBL3750239 0.91 SCN9A (0.51) ALDH1A1FAAHMC4RBCHEACHE
SCHEMBL3759964 0.87 OPRM1 (0.47) ALDH1A1ACHEMTNR1AKCNH2SCN5A
SCHEMBL3755256 0.85 POLB (0.61) CDK4CCND1ALDH1A1MC4RBCHE
SCHEMBL3754732 0.85 NPC1 (0.54) ALDH1A1MTNR1AKMT2AMEN1NPC1
SCHEMBL3752731 0.85 ALDH1A1 (0.53) CDK4CCND1ALDH1A1SCN9AKMT2A
SCHEMBL3745544 0.84 MTNR1A (0.49) CDK4CCND1HTR1AALDH1A1MC4R
SCHEMBL3745745 0.83 FAAH (0.48) CDK4CCND1HTR1AHTR1BHTR2A
SCHEMBL3754277 0.82 MEN1 (0.51) CDK4CCND1HTR1AMC4RMTNR1A
SCHEMBL3751823 0.82 KMT2A (0.51) HTR1AALDH1A1MC4RMTNR1AKCNH2

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 CDK4 1344/4885CCND1 381/4885HTR1A 2108/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 CDK4 2109/4885CCND1 316/4885HTR1A 1476/4885

“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.