SCHEMBL29310081

SCHEMBL29310081

COCc1cc(C(C)C)ccc1N1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD4 P21917 2/20 0.39
HRH2 P25021 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
NCF1 P14598 1/20 0.38
HTR6 P50406 3/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAD52 P43351 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

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
SCHEMBL29310093 0.89 DRD2 (0.42) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL20883976 0.82 KDM4E (0.45) ALDH1A1KDM4EL3MBTL1LMNATSHR
SCHEMBL29310423 0.81 HTR1A (0.43) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL22450644 0.79 MAPT (0.56) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL14924081 0.79 DRD2 (0.58) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL26417085 0.79 KDM4E (0.42) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL29310063 0.76 ALDH1A1 (0.38) ALDH1A1HTR6CYP3A4CYP2D6HTR2A
SCHEMBL21966972 0.76 DRD2 (0.49) DRD2DRD3ALDH1A1KDM4EL3MBTL1
SCHEMBL22635909 0.75 NCF1 (0.58) DRD2DRD3KDM4EDRD4HRH2
SCHEMBL12352558 0.75 ALDH1A1 (0.46) DRD2DRD3ALDH1A1KDM4EL3MBTL1

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.