SCHEMBL25820235

SCHEMBL25820235

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
CYP1A2 P05177 1/20 0.30
CHRM4 P08173 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
SCHEMBL25822499 0.82 ADAM17 (0.31) IKBKB
SCHEMBL25820240 0.81 CHRM3 (0.33) IKBKB
SCHEMBL25821273 0.79 IKBKB (0.32) IKBKB
SCHEMBL25820234 0.78 HTR2A (0.34)
SCHEMBL25820238 0.76 NOS3 (0.42) IKBKBCYP1A2
SCHEMBL25820213 0.76 HTR2A (0.43)
SCHEMBL25821294 0.75 KMT2A (0.33)
SCHEMBL25821293 0.73 HTR2A (0.33)
SCHEMBL25821292 0.73 TLR9 (0.38)
SCHEMBL26311908 0.68 ALDH1A1 (0.43) CYP1A2

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 IKBKB 226/4885CYP1A2 3870/4885CHRM4 4638/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA IKBKB 223/4885CYP1A2 3528/4885CHRM4 4284/4885

“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.