SCHEMBL29310058

SCHEMBL29310058

Cc1cc(C(C)C)cc2c1CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.39
MAOB P27338 4/20 0.39
SLC6A4 P31645 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CHRNA7 P36544 1/20 0.33

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
SCHEMBL25101118 0.87 MAOA (0.39) MAOAMAOBSLC6A4L3MBTL1DRD2
SCHEMBL29310054 0.82 CYP2D6 (0.40) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL22859078 0.79 MAOA (0.41) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL29310399 0.79 NMT1 (0.34) DRD2DRD1DRD5DRD3
SCHEMBL18902623 0.76 MAOA (0.41) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL29310333 0.76 MAOA (0.41) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL23735928 0.76 DRD2 (0.47) MAOAMAOBSLC6A4DRD2DRD1
SCHEMBL1619374 0.74 MAOA (0.52) MAOAMAOBSLC6A4DRD2DRD1
SCHEMBL17815391 0.73 DRD1 (0.51) MAOAMAOBSLC6A4CYP1A2CYP2D6
SCHEMBL26227089 0.73 DRD1 (0.47) MAOAMAOBSLC6A4DRD2DRD1

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 1 patent. 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

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 MAOA 4159/4885MAOB 3948/4885SLC6A4 4697/4885

“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.