SCHEMBL3750437

SCHEMBL3750437

CC(C)(C)OC(=O)N(CCc1cccc(Br)c1)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
RIPK1 Q13546 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
ACHE P22303 1/20 0.39
MAOB P27338 2/20 0.39
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
AAK1 Q2M2I8 1/20 0.36

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
SCHEMBL21810778 0.86 TAAR1 (0.53) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL3012881 0.85 TAAR1 (0.55) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL1704199 0.83 TAAR1 (0.55) TAAR1RIPK1SIGMAR1FFAR1FFAR4
SCHEMBL4398498 0.78 RIPK1 (0.53) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL3241377 0.77 HDAC1 (0.43) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL20718841 0.77 AAK1 (0.35) ACHEAAK1
SCHEMBL2176070 0.77 RIPK1 (0.63) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL902744 0.76 L3MBTL1 (0.47) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL4711023 0.76 TAAR1 (0.41) TAAR1RIPK1CTSBCTSSCTSK
SCHEMBL4819083 0.76 TAAR1 (0.41) TAAR1RIPK1CTSBCTSSCTSK

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 1 patent. 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 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 (1 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-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 TAAR1 848/4885RIPK1 3747/4885CTSB 4730/4885

“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.