SCHEMBL21745490

SCHEMBL21745490

COC1CCN(C(C)CC2CN(C(C)C)CCO2)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.44
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
KDR P35968 1/20 0.32
EPHB4 P54760 1/20 0.32
CCR2 P41597 1/20 0.31
KCNH2 Q12809 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
SCHEMBL24256708 0.84 HRH3 (0.44) HRH3CCR2KCNH2
SCHEMBL21745492 0.84 HRH3 (0.36) HRH3
SCHEMBL20980172 0.83 HRH3 (0.43) HRH3CCR2KCNH2
SCHEMBL22893242 0.82 HRH3 (0.47) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL24700866 0.82 HRH3 (0.47) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL26194411 0.81 HRH3 (0.46) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL21157892 0.80 HRH3 (0.45) HRH3ERBB2EPHA2KDREPHB4
SCHEMBL18898331 0.78 HRH3 (0.40) HRH3CCR2KCNH2
SCHEMBL25872792 0.78 HRH3 (0.44) HRH3CCR2KCNH2
SCHEMBL24943355 0.78 HRH3 (0.47) HRH3ERBB2EPHA2KDREPHB4

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-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction JANSSEN PHARMACEUTICA NV (BE) 2021-03-16 US disclosed
US-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2020-02-20 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 (2 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-20200055874-A1 INHIBITORS OF KEAP1-Nrf2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 HRH3 3645/4885ERBB2 3331/4885EPHA2 4402/4885
US-10947252-B2 Inhibitors of KEAP1-Nrf2 protein-protein interaction KEAP1, NFE2L2, HMOX1 HRH3 3645/4885ERBB2 3331/4885EPHA2 4402/4885

“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.