SCHEMBL25313129

SCHEMBL25313129

CC(C)(C)OC(=O)N[C@H]1CC[C@H](COCC2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
GRIN2B Q13224 6/20 0.49
DRD2 P14416 2/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 3/20 0.48
CYP2C9 P11712 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
CYP2C19 P33261 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL25313131 1.00 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AGRIN2BDRD2
SCHEMBL29386221 0.94 DRD2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BDRD2
SCHEMBL28978040 0.90 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL951538 0.90 KMT2A (0.59) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL31251067 0.89 DRD2 (0.47) SMN1; SMN2NPC1RAB9AGRIN2BDRD2
SCHEMBL22835959 0.87 KMT2A (0.51) SMN1; SMN2NPC1RAB9AGRIN2BHTT
SCHEMBL27224954 0.86 DRD2 (0.59) SMN1; SMN2NPC1RAB9ADRD2HTT
SCHEMBL27039636 0.86 DRD2 (0.49) SMN1; SMN2NPC1RAB9AGRIN2BDRD2
SCHEMBL6580050 0.86 DRD2 (0.54) SMN1; SMN2NPC1RAB9AGRIN2BDRD2
SCHEMBL27039446 0.85 DRD2 (0.48) SMN1; SMN2NPC1RAB9AGRIN2BDRD2

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
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF LEADINGTAC PHARMACEUTICAL (SHAOXING) CO., LTD. (CN) 2023-07-27 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-20230234936-A1 COMPOUND FOR TARGETING AND DEGRADING PROTEIN, AND PREPARATION METHOD THEREFOR AND USE THEREOF IRAK4, IRAK2, IRAK1 SMN1; SMN2 3854/4885NPC1 2315/4885RAB9A 3619/4885

“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.