SCHEMBL25830616

SCHEMBL25830616

Cc1cc(OC(C)C)cnn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
MAPK1 P28482 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ALDH1A1 P00352 4/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL17247676 0.79 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17247675 0.78 GABRG2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2614481 0.76
SCHEMBL15984884 0.73 MAPK1 (0.44) MAPK1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL27599231 0.70 CHRNB2 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20349173 0.69
SCHEMBL20349178 0.69
SCHEMBL12695010 0.68 CHRNB2 (0.44) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL799396 0.67 LMNA (0.32) LMNA
SCHEMBL28941004 0.67 KMT2A (0.42) KMT2A

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 GABRA1 3307/4885GABRG2 2994/4885GABRB3 1033/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA GABRA1 3364/4885GABRG2 3125/4885GABRB3 994/4885

“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.