SCHEMBL29310093

SCHEMBL29310093

COCc1ccc(C(C)C)cc1N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.42
DRD3 P35462 4/20 0.42
ALDH1A1 P00352 3/20 0.41
DRD4 P21917 3/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR6 P50406 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
HTR7 P34969 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
HTR1A P08908 3/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
BCHE P06276 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
SCHEMBL29310081 0.89 DRD2 (0.42) DRD2DRD3ALDH1A1DRD4HRH2
SCHEMBL21966972 0.85 DRD2 (0.49) DRD2DRD3ALDH1A1DRD4KDM4E
SCHEMBL30997663 0.79 MAPT (0.53) DRD2DRD3ALDH1A1DRD4HRH2
SCHEMBL14355821 0.79 MEN1 (0.49) DRD2DRD3ALDH1A1DRD4HRH2
SCHEMBL14924081 0.76 DRD2 (0.58) DRD2DRD3ALDH1A1DRD4HRH2
SCHEMBL14200309 0.75 KDM4E (0.42) DRD2DRD3ALDH1A1KDM4EHTR6
SCHEMBL22635909 0.75 NCF1 (0.58) DRD2DRD3DRD4HRH2HRH3
SCHEMBL16939771 0.75 LMNA (0.44) DRD2DRD3ALDH1A1KDM4EHTR6
SCHEMBL23052692 0.74 ALDH1A1 (0.49) DRD2DRD3ALDH1A1KDM4EHTR6
SCHEMBL20883976 0.74 KDM4E (0.45) ALDH1A1KDM4EHTR6L3MBTL1CYP3A4

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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 US disclosed
US-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2024-07-11 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-20240228459-A1 WEE1 INHIBITORS AND USES THEREOF WEE1, WEE2, DCLRE1B DRD2 4849/4885DRD3 4775/4885ALDH1A1 3226/4885

“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.