SCHEMBL3745544

SCHEMBL3745544

CC(C)(C)CCN1C(=O)c2ccccc2C1C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.49
SIRT2 Q8IXJ6 2/20 0.49
MC4R P32245 2/20 0.48
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
HTR1A P08908 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3751661 0.91 SCN9A (0.51) PKMTSHRALDH1A1
SCHEMBL3754277 0.91 MEN1 (0.51) MTNR1AKMT2AMEN1LMNACYP1A2
SCHEMBL3751823 0.85 KMT2A (0.51) MTNR1AKMT2AMEN1LMNACYP1A2
SCHEMBL3754052 0.84 SIRT1 (0.52) MTNR1ACDK4CCND1ALDH1A1
SCHEMBL3754846 0.84 CDK4 (0.52) MTNR1AKMT2AMEN1MC4RCDK4
SCHEMBL3752731 0.83 ALDH1A1 (0.53) KMT2AMEN1LMNACDK4CCND1
SCHEMBL3753450 0.83 KMT2A (0.54) MTNR1AKMT2AMEN1LMNACYP1A2
SCHEMBL3750207 0.82 SCN9A (0.49)
SCHEMBL3756390 0.82 KCNA5 (0.50) KMT2ALMNAALDH1A1
SCHEMBL3755256 0.82 POLB (0.61) MTNR1AKMT2ATSHRMC4RCDK4

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 MTNR1A 492/4885KMT2A 3483/4885MEN1 538/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 MTNR1A 540/4885KMT2A 3979/4885MEN1 2400/4885

“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.