SCHEMBL25907679

SCHEMBL25907679

CC(C)Oc1cccc2c1CN(C)CC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 5/20 0.54
DRD5 P21918 5/20 0.54
DRD3 P35462 4/20 0.54
DRD2 P14416 3/20 0.54
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
ADRA2A P08913 3/20 0.47
ADRA2B P18089 3/20 0.47
ADRA2C P18825 3/20 0.47
CYP2D6 P10635 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
DRD4 P21917 2/20 0.44
PRMT5 O14744 1/20 0.44
WDR77 Q9BQA1 1/20 0.44
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR1D P28221 1/20 0.43

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
SCHEMBL21216149 0.88 MAOA (0.49) DRD1DRD5DRD3DRD2MAOA
SCHEMBL5568684 0.82 DRD1 (0.77) DRD1DRD5DRD3DRD2MAOA
SCHEMBL26580643 0.78 DRD1 (0.54) DRD1DRD5DRD3DRD2MAOA
SCHEMBL8185463 0.76 ADRA2A (0.49) DRD1DRD5DRD3DRD2MAOA
SCHEMBL8185466 0.76 ADRA2A (0.49) DRD1DRD5DRD3DRD2MAOA
SCHEMBL8187016 0.76 HRH3 (0.56) DRD1DRD5DRD3DRD2MAOA
SCHEMBL16154960 0.76 MAOA (0.53) DRD1DRD5DRD3DRD2MAOA
SCHEMBL17755144 0.75 RXRA (0.42)
SCHEMBL17755139 0.75 BCL2L1 (0.46)
SCHEMBL8187259 0.75 HRH3 (0.58) DRD1DRD5DRD3DRD2MAOA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2024-07-11 US disclosed
US-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-10-19 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
WO-2023141300-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-07-27 WO 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 (2 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-20230331717-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, KRAS, HRAS DRD1 4780/4885DRD5 4343/4885DRD3 4783/4885
US-20240226113-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TP53, HRAS, KRAS DRD1 4822/4885DRD5 4603/4885DRD3 4820/4885

“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.