SCHEMBL5155504

SCHEMBL5155504

CC(C)CNc1cc(N2CC3CCCNC3C2)nc(N)n1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 18/20 0.62
ROCK1 Q13464 1/20 0.47
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
HTR3A P46098 1/20 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
SCHEMBL5155514 1.00 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL18636736 0.87 HRH4 (0.67) HRH4ROCK1HTR3A
SCHEMBL12605022 0.87 HRH4 (0.67) HRH4ROCK1HTR3A
SCHEMBL5152791 0.85 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL18486242 0.85 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL18486240 0.85 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL18636735 0.84 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL12605013 0.84 HRH4 (0.62) HRH4ROCK1KCNH2HRH3HTR3A
SCHEMBL1774077 0.83 HRH4 (0.47) HRH4HRH3HTR3A
SCHEMBL1775394 0.83 HRH4 (0.47) HRH4HRH3HTR3A

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-20070185075-A1 Pyrimidine derivatives PFIZER LIMITED 2007-08-09 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-20070185075-A1 Pyrimidine derivatives TYMS, DPYD, TYMP HRH4 184/4885ROCK1 3749/4885KCNH2 3180/4885

“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.