SCHEMBL29310399

SCHEMBL29310399

Cc1cc(C(C)C)cc2c1CN(CCC(C)c1ccc3c(c1)CN(C)CC3)CC2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
PNMT P11086 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 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
SCHEMBL29310058 0.79 MAOA (0.39) DRD2DRD3DRD1DRD5
SCHEMBL1619374 0.75 MAOA (0.52) DRD2DRD3DRD1DRD5
SCHEMBL21362950 0.74 HRH3 (0.46) DRD2DRD3PNMTDRD1DRD5
SCHEMBL25101118 0.73 MAOA (0.39) DRD2DRD3DRD1DRD5
SCHEMBL12628112 0.70 MAOA (0.55) KMT2ADRD2DRD3DRD1DRD5
SCHEMBL20910014 0.69 ALDH1A1 (0.44) MEN1KMT2AATMDRD2DRD3
SCHEMBL24253320 0.69 HRH3 (0.38) DRD2DRD3DRD1DRD5
SCHEMBL26227089 0.69 DRD1 (0.47) DRD2DRD3DRD1DRD5
SCHEMBL14102479 0.67 HRH3 (0.48) MEN1KMT2ADRD2DRD3PNMT
SCHEMBL21266992 0.67 ASIC3 (0.44) MEN1KMT2ADRD2DRD3

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 NMT1 1180/4885MEN1 1813/4885KMT2A 1422/4885

“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.