SCHEMBL26501277

SCHEMBL26501277

CC(C)O[C@@H]1CCN(CCCCCCCCCCCC(=O)C(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.35
BCHE P06276 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
HTR7 P34969 3/20 0.33
CHRM2 P08172 2/20 0.32
CHRM3 P20309 2/20 0.32
NPC1 O15118 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ERBB2 P04626 1/20 0.32
FYN P06241 1/20 0.32
CHRM4 P08173 1/20 0.32
ABCB1 P08183 1/20 0.32
ADRB1 P08588 1/20 0.32
HTR1A P08908 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL26501275 1.00 PAOX (0.35) PAOXBCHESMN1; SMN2HTR7CHRM2
SCHEMBL26501281 0.92 PAOX (0.40) PAOXBCHEHTR7CHRM2CHRM3
SCHEMBL26501276 0.84 CHRM3 (0.35) PAOXBCHESMN1; SMN2CHRM2CHRM3
SCHEMBL26505140 0.82 PAOX (0.41) PAOXBCHESMN1; SMN2HTR7CHRM2
SCHEMBL26505014 0.81 BCHE (0.38) PAOXBCHEHTR7CHRM2CHRM3
SCHEMBL26501345 0.80 GBA1 (0.35) BCHE
SCHEMBL25467834 0.80 PAOX (0.44) PAOXBCHEHTR7CHRM3HTT
SCHEMBL25467833 0.80 PAOX (0.44) PAOXBCHEHTR7CHRM3HTT
SCHEMBL26501320 0.78 GNAI3 (0.36) HTR7CHRM2CHRM3NPC1MLNR
SCHEMBL26501318 0.78 GNAI3 (0.36) HTR7CHRM2CHRM3NPC1MLNR

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS PAOX 1898/4885BCHE 3760/4885SMN1; SMN2 2524/4885

“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.