SCHEMBL25824307

SCHEMBL25824307

CCC(C)Oc1cc(C)nc2c1CC(N1CCC1)CC2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
EHMT2 Q96KQ7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DRD2 P14416 2/20 0.31
DRD1 P21728 2/20 0.31
DRD3 P35462 2/20 0.31
HTR1D P28221 2/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 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
SCHEMBL24010035 0.82 EHMT2 (0.41) EHMT2
SCHEMBL25831651 0.78 CHRM3 (0.35) DRD2DRD1DRD3
SCHEMBL25461128 0.77 ADAM17 (0.34) KDM4EALDH1A1HTR1D
SCHEMBL25820234 0.77 HTR2A (0.34) KDM4EHTR2AHTR2CHTR2BHTR1D
SCHEMBL23999682 0.75 EHMT2 (0.32) KDM4EEHMT2ALDH1A1HTR1D
SCHEMBL25831641 0.67 EHMT2 (0.38) EHMT2
SCHEMBL25821294 0.67 KMT2A (0.33) KDM4EHTR2AHTR2CHTR2BEHMT2
SCHEMBL23999684 0.65 ALDH1A1 (0.39) EHMT2ALDH1A1
SCHEMBL24006324 0.64 SIGMAR1 (0.41) HTR2CHTR2BEHMT2HTR1D
SCHEMBL25821292 0.63 TLR9 (0.38)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230219927-A1 AKT3 MODULATORS Georgiamune Inc. 2023-07-13 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 (1 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-20230219927-A1 AKT3 MODULATORS AKT3, AKT2, PIK3CA KDM4E 4219/4885HTR2A 2539/4885HTR2C 2111/4885

“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.