SCHEMBL21025697

SCHEMBL21025697

CC(C)(C)CCCOCCC1CCN(CCCCCOC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 1/20 0.42
HRH3 Q9Y5N1 12/20 0.39
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
BCHE P06276 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ACHE P22303 1/20 0.33
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL21025892 0.96 HRH3 (0.40) GNAO1HRH3KCNH2CACNA1IBCHE
SCHEMBL20128852 0.87 HRH3 (0.35) HRH3
SCHEMBL20128871 0.83 HRH3 (0.33) HRH3KCNH2CACNA1I
SCHEMBL20128853 0.81 HRH3 (0.38) GNAO1HRH3
SCHEMBL20314484 0.79 CACNA1I (0.40) GNAO1HRH3KCNH2CACNA1I
SCHEMBL21664604 0.78 HRH3 (0.38) GNAO1HRH3
SCHEMBL20805140 0.76 GNAO1 (0.53) GNAO1HRH3KCNH2CACNA1IBCHE
SCHEMBL26455626 0.76 GNAO1 (0.56) GNAO1HRH3KCNH2CACNA1IBCHE
SCHEMBL20133284 0.76 HRH3 (0.36) HRH3KCNH2CACNA1IBCHE
SCHEMBL22560665 0.76 HRH3 (0.36) HRH3BCHE

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 GNAO1 2969/4885HRH3 2075/4885KCNH2 4855/4885

“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.