SCHEMBL3760997

SCHEMBL3760997

CC(C)(C)NC(=O)C1c2ccccc2C(=O)N1CCCCNC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 17/20 0.61
KCNH2 Q12809 6/20 0.61
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL3748905 0.86 KCNA5 (0.62) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3939824 0.85 KCNA5 (0.64) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3750458 0.83 KCNA5 (0.66) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3760237 0.82 KCNA5 (0.58) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3751788 0.80 KCNA5 (0.58) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3756765 0.80 KCNA5 (0.69) KCNA5KCNH2GAA
SCHEMBL3757558 0.80 GAA (0.72) GAATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL3755669 0.80 GAA (0.62) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3745698 0.80 GAA (0.62) KCNA5KCNH2GAATSHRALDH1A1
SCHEMBL3745776 0.80 KCNA5 (0.62) KCNA5KCNH2GAATSHRALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KCNA5 69/4885KCNH2 2/4885GAA 3997/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 KCNA5 72/4885KCNH2 2/4885GAA 4674/4885

“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.