SCHEMBL29314713

SCHEMBL29314713

COCCCN1CCN(c2ccccc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.71
DRD2 P14416 6/20 0.71
HTR1A P08908 6/20 0.71
DRD3 P35462 5/20 0.71
HTR2A P28223 4/20 0.71
TMEM97 Q5BJF2 3/20 0.71
HRH1 P35367 2/20 0.71
KCNH2 Q12809 2/20 0.69
CYP2D6 P10635 1/20 0.63
HRH3 Q9Y5N1 1/20 0.59
HTR7 P34969 1/20 0.56
ADRA1A P35348 1/20 0.56
CHRNA7 P36544 1/20 0.56

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
SCHEMBL26382802 0.87 KCNH2 (0.65) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL13103801 0.85 DRD2 (0.56) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL23097718 0.84 DRD2 (0.68) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL19297522 0.84 SLC6A2 (0.60) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL5988317 0.84 KCNH2 (0.88) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL20231608 0.83 DRD2 (0.51) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL4528457 0.82 KCNH2 (1.00) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL25839409 0.81 MEN1 (0.55) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL155128 0.81 SIGMAR1 (0.79) SIGMAR1DRD2HTR1ADRD3HTR2A
SCHEMBL29816483 0.81 HTR1A (0.56) SIGMAR1DRD2HTR1ADRD3HTR2A

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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 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-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 SIGMAR1 2905/4885DRD2 4667/4885HTR1A 2923/4885

“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.