SCHEMBL4034064

SCHEMBL4034064

CC(C)NC(=O)c1cnc(N2CCC(CC3CCN(C(C)C)CC3)CC2)cn1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.51
PARP1 P09874 1/20 0.44
JAK2 O60674 2/20 0.39

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
SCHEMBL4034174 0.88 HRH3 (0.52) HRH3
SCHEMBL5210303 0.88 HRH3 (0.57) HRH3PARP1
SCHEMBL4034675 0.87 PARP1 (0.42) HRH3PARP1JAK2
SCHEMBL4036526 0.86 HRH3 (0.54) HRH3
SCHEMBL5209262 0.79 HRH3 (0.57) HRH3
SCHEMBL5212146 0.78 HRH3 (0.54) HRH3PARP1
SCHEMBL5213872 0.78 HRH3 (0.57) HRH3
SCHEMBL5209064 0.77 HRH3 (0.52) HRH3
SCHEMBL4034282 0.76 HRH3 (0.48) HRH3PARP1
SCHEMBL25703281 0.75 PARP1 (0.49) PARP1JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US claimed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US claimed

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-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT HRH3 620/4885PARP1 803/4885JAK2 1785/4885

“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.