SCHEMBL26501232

SCHEMBL26501232

CC(C)(C)OCCN1CCN(CCCCCCCC(=O)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.45
KCNH2 Q12809 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HTR7 P34969 2/20 0.35
HRH2 P25021 3/20 0.34
HRH1 P35367 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
DRD2 P14416 3/20 0.34
DRD4 P21917 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33

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
SCHEMBL26501211 0.94 PAOX (0.45) PAOXHTR7HRH2HRH1ALDH1A1
SCHEMBL26501212 0.94 PAOX (0.45) PAOXHTR7HRH2HRH1ALDH1A1
SCHEMBL26501213 0.83 HRH2 (0.42) HTR7HRH2HRH1
SCHEMBL12247050 0.81 HRH3 (0.39) PAOXHRH2HRH1ALDH1A1MAPT
SCHEMBL22560691 0.80 HRH3 (0.41) ALDH1A1HRH3
SCHEMBL13455664 0.78 ALDH1A1 (0.38) ALDH1A1
SCHEMBL22560529 0.78 ALDH1A1 (0.38) KCNH2CACNA1IALDH1A1HRH3
SCHEMBL26501209 0.77 PAOX (0.43) PAOXHTR7HRH2HRH1DRD2
SCHEMBL21497288 0.76 PAOX (0.54) PAOXHTR7ALDH1A1
SCHEMBL26382167 0.76 PAOX (0.54) PAOXHTR7ALDH1A1

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-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 1898/4885KCNH2 4868/4885CACNA1I 4780/4885

“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.