SCHEMBL25820240

SCHEMBL25820240

Cc1cc(CC(C)C)c2c(n1)CCC(N(C)C)C2

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.33
DRD2 P14416 2/20 0.33
DRD1 P21728 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31
HTR6 P50406 5/20 0.31
HTR1D P28221 3/20 0.31
HTR1B P28222 3/20 0.31
IKBKB O14920 1/20 0.30
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL25821273 0.90 IKBKB (0.32) PTGDR2IKBKB
SCHEMBL23999784 0.85 DRD2 (0.36) CHRM3DRD2DRD1PTGDR2CHRM2
SCHEMBL25820235 0.81 IKBKB (0.32) IKBKB
SCHEMBL25822499 0.80 ADAM17 (0.31) IKBKB
SCHEMBL25820234 0.76 HTR2A (0.34) HTR1D
SCHEMBL25831651 0.75 CHRM3 (0.35) CHRM3DRD2DRD1CHRM2CHRM1
SCHEMBL25820238 0.74 NOS3 (0.42) IKBKB
SCHEMBL25846522 0.74 CHRM2 (0.50) CHRM3DRD2DRD1CHRM2CHRM1
SCHEMBL24003780 0.74 DRD2 (0.36) CHRM3DRD2DRD1CHRM2CHRM1
SCHEMBL25821294 0.73 KMT2A (0.33)

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-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 US disclosed
US-20230183226-A1 AKT3 MODULATORS Georgiamune Inc. 2023-06-15 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 (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-20230183226-A1 AKT3 MODULATORS AKT3, AKT2, MTOR CHRM3 2950/4885DRD2 4881/4885DRD1 4879/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA CHRM3 2791/4885DRD2 4874/4885DRD1 4863/4885

“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.