SCHEMBL1781783

SCHEMBL1781783

CC(C)N1CCC(CN(C)C=O)C1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 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
SCHEMBL13860739 0.80 HRH3 (0.36) HRH3KCNH2
SCHEMBL1781781 0.77 EGLN1 (0.33) HRH3
SCHEMBL19226648 0.76 HRH3 (0.33) HRH3
SCHEMBL19658447 0.75 EGLN1 (0.36) HRH3KCNH2
SCHEMBL24579155 0.75 HRH3 (0.34) HRH3KCNH2
SCHEMBL14453916 0.75 HRH3 (0.35) HRH3
SCHEMBL17886862 0.75 HRH3 (0.33) HRH3
SCHEMBL19652091 0.74 DPP4 (0.39) HRH3KCNH2
SCHEMBL4372402 0.74 HRH3 (0.38) HRH3KCNH2
SCHEMBL19083158 0.73 HRH3 (0.33) HRH3

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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 US claimed
US-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2011-05-19 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-20110118238-A1 2-ANILINOPURIN-8-ONES AS INHIBITORS OF TTK/MPS1 FOR THE TREATMENT OF PROLIFERATIVE DISORDERS BUB1, BUB1B, TTBK1 HRH3 3561/4885KCNH2 3872/4885

“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.