SCHEMBL22320484

SCHEMBL22320484

COC(=O)c1ccnc(N2CC(CN(C)C)C2)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.46
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
RBP4 P02753 4/20 0.41
TTR P02766 1/20 0.41
HCRTR1 O43613 7/20 0.36
HCRTR2 O43614 7/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CD38 P28907 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
ACACB O00763 2/20 0.35
MELK Q14680 1/20 0.35
SCN9A Q15858 1/20 0.35

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
SCHEMBL20745795 0.85 CRBN (0.47) CRBNNR1H2NR1H3RBP4TTR
SCHEMBL12525385 0.81 CRBN (0.50) CRBNNR1H2NR1H3RBP4TTR
SCHEMBL20534016 0.79 CRBN (0.48) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL20745082 0.78 CRBN (0.47) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL17515578 0.76 HCRTR2 (0.47) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL22320481 0.76 NR1H2 (0.39) NR1H2HCRTR1HCRTR2
SCHEMBL28059117 0.75 CRBN (0.55) CRBNNR1H2NR1H3RBP4ACACB
SCHEMBL31704799 0.74 CRBN (0.52) CRBNNR1H2NR1H3RBP4TTR
SCHEMBL17465981 0.73 RBP4 (0.54) CRBNNR1H2NR1H3RBP4HCRTR1
SCHEMBL20745726 0.73 CRBN (0.53) CRBNCYP2C19ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112739343-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2021-04-30 CN disclosed
US-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE ABBVIE INC (US) 2020-08-13 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-20200255451-A1 MACROCYCLIC MCL-1 INHIBITORS AND METHODS OF USE MCL1, BCL2A1, BCL2L10 CRBN 482/4885NR1H2 3570/4885NR1H3 3767/4885

“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.