SCHEMBL25824240

SCHEMBL25824240

COc1ccnc2c1CC(N1CC3(CNC3)C1)CC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34
ADRA1D P25100 1/20 0.33
EHMT2 Q96KQ7 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
ADRA2A P08913 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL24006341 0.88
SCHEMBL26330032 0.86 IRAK4 (0.34) ADRA1AADRA1DEHMT2SIGMAR1
SCHEMBL24006324 0.83 SIGMAR1 (0.41) ADRA1AHTR2CHTR2BEHMT2SIGMAR1
SCHEMBL25831641 0.81 EHMT2 (0.38) ADRA1AEHMT2
SCHEMBL25820202 0.79 HTR2A (0.47) HTR2CHTR2B
SCHEMBL24003783 0.77 EHMT2 (0.37) EHMT2SIGMAR1
SCHEMBL25831479 0.76 EHMT2 (0.37) EHMT2SIGMAR1
SCHEMBL26311886 0.73 ADRA1A (0.61) ADRA1AADRA1DDRD2DRD3
SCHEMBL26330021 0.71 ADRA1A (0.39) ADRA1AADRA1DADRA2ADRD2DRD3
SCHEMBL24003942 0.70 ADRA1A (0.36) ADRA1AADRA1DADRA2ADRD2DRD3

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 ADRA1A 3488/4885HTR2C 2539/4885HTR2B 3066/4885
US-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA ADRA1A 2976/4885HTR2C 2111/4885HTR2B 2588/4885

“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.