SCHEMBL29310054

SCHEMBL29310054

CC(C)c1cc(Cl)c2c(c1)CCN(C)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1A P35348 2/20 0.40
ADRA1B P35368 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 3/20 0.39
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
CYP1A2 P05177 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAPT P10636 1/20 0.34
DRD4 P21917 1/20 0.34

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
SCHEMBL29310058 0.82 MAOA (0.39) CYP2D6DRD2DRD1DRD5DRD3
SCHEMBL10082732 0.80 CYP2D6 (0.44) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL29310310 0.77 KDM4E (0.42) CYP2D6ADRA2AADRA2BADRA2CADRA1D
SCHEMBL1619374 0.73 MAOA (0.52) NPSR1DRD2DRD1DRD5DRD3
SCHEMBL25101118 0.72 MAOA (0.39) DRD2DRD1DRD5DRD3MAOA
SCHEMBL20314872 0.72 DRD2 (0.45) CYP2D6DRD2DRD1DRD5DRD3
SCHEMBL26227089 0.72 DRD1 (0.47) DRD2DRD1DRD5DRD3MAOA
SCHEMBL12628112 0.71 MAOA (0.55) DRD2DRD1DRD5DRD3MAOA
SCHEMBL29310311 0.71 HTR2A (0.47) MAPT
SCHEMBL12969652 0.69 ADRA2A (0.79) CYP2D6ADRA2AADRA2BADRA2CADRA1D

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 CYP2D6 4055/4885ADRA2A 4765/4885ADRA2B 4696/4885

“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.