SCHEMBL25820238

SCHEMBL25820238

Cc1cc(CC(C)C)c2c(n1)CCCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ACHE P22303 5/20 0.36
IKBKB O14920 1/20 0.35
ADAM17 P78536 5/20 0.35
BCHE P06276 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
EEF2K O00418 1/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
HTT P42858 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL526813 0.79 NOS3 (0.44) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL25822499 0.78 ADAM17 (0.31) IKBKBADAM17
SCHEMBL25820235 0.76 IKBKB (0.32) IKBKBCYP1A2
SCHEMBL25820234 0.74 HTR2A (0.34) KDM4EADAM17
SCHEMBL25820240 0.74 CHRM3 (0.33) IKBKB
SCHEMBL29621658 0.74 NOS3 (0.64) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL527227 0.74 NOS3 (0.64) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL20417066 0.72 NOS3 (0.62) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL25821273 0.72 IKBKB (0.32) IKBKB
SCHEMBL805577 0.71 NOS3 (0.43) NOS3NOS1NOS2NPC1RAB9A

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 NOS3 612/4885NOS1 3493/4885NOS2 3170/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA NOS3 817/4885NOS1 3333/4885NOS2 3467/4885

“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.