SCHEMBL3759964

SCHEMBL3759964

CCN(CC)C(=O)c1ccc(CCN2C(=O)c3ccccc3C2C(=O)NCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
ACHE P22303 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MTNR1A P48039 2/20 0.44
SIRT1 Q96EB6 1/20 0.44
KCNH2 Q12809 1/20 0.43
SCN5A Q14524 1/20 0.43
SCN9A Q15858 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
BLM P54132 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL3754846 0.87 CDK4 (0.52) ACHEKMT2AALDH1A1MTNR1AKCNH2
SCHEMBL3754052 0.87 SIRT1 (0.52) ACHEALDH1A1MTNR1ASIRT1KCNH2
SCHEMBL3750239 0.85 SCN9A (0.51) ACHEKMT2AALDH1A1KCNH2SCN5A
SCHEMBL3758125 0.84 KCNH2 (0.52) TP53KMT2AALDH1A1KCNH2SCN5A
SCHEMBL3752731 0.82 ALDH1A1 (0.53) TP53KMT2AALDH1A1SCN9AMEN1
SCHEMBL3745544 0.81 MTNR1A (0.49) KMT2AALDH1A1MTNR1AMEN1LMNA
SCHEMBL3755256 0.81 POLB (0.61) ACHEKMT2AALDH1A1MTNR1AKCNH2
SCHEMBL3754732 0.81 NPC1 (0.54) TP53KMT2AALDH1A1MTNR1AMEN1
SCHEMBL3753450 0.81 KMT2A (0.54) TP53KMT2AALDH1A1MTNR1AMEN1
SCHEMBL3754277 0.80 MEN1 (0.51) KMT2AMTNR1AMEN1LMNACYP1A2

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 6 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
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 OPRM1 1057/4885OPRD1 1246/4885ACHE 572/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 OPRM1 888/4885OPRD1 207/4885ACHE 715/4885

“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.