SCHEMBL21026327

SCHEMBL21026327

CC(C)(C)OCCCOCCCN1CC(C(C)(C)C)C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ALOX15 P16050 1/20 0.31
MAOB P27338 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
SCHEMBL20128747 0.82 HRH3 (0.32) HRH3MAOB
SCHEMBL26846065 0.79 HRH3 (0.30) HRH3MAOB
SCHEMBL20128752 0.79 HRH3 (0.30) HRH3
SCHEMBL24856587 0.78
SCHEMBL21421756 0.76 KCNH2 (0.35) HRH3CYP1A2CYP2D6
SCHEMBL26786957 0.76 MAOB (0.35) HRH3MAOB
SCHEMBL23179022 0.75 HRH3 (0.36) HRH3MAOB
SCHEMBL21933617 0.75 CYP1A2 (0.41) HRH3CYP1A2CYP2D6ALOX15
SCHEMBL26800570 0.75 PIK3CD (0.42) HRH3MAOB
SCHEMBL20128860 0.74 GBA2 (0.33)

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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES ARVINAS OPERATIONS, INC. 2019-05-23 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-20190151295-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE 4 POLYPEPTIDES IRAK1, IRAK4, IRAK2 HRH3 2075/4885CYP1A2 4845/4885CYP2D6 4812/4885

“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.