SCHEMBL1775550

SCHEMBL1775550

CC(C)(C)Nc1cc(N2CC3CCCNC3C2)nc(N)n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.66
ROCK1 Q13464 1/20 0.49
HTR3A P46098 1/20 0.40
NUDT1 P36639 3/20 0.40

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
SCHEMBL1775551 1.00 HRH4 (0.66) HRH4ROCK1HTR3ANUDT1
SCHEMBL5152791 0.86 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL18486240 0.86 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL18486242 0.86 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL12605022 0.85 HRH4 (0.67) HRH4ROCK1HTR3ANUDT1
SCHEMBL18636736 0.85 HRH4 (0.67) HRH4ROCK1HTR3ANUDT1
SCHEMBL18636735 0.84 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL12605013 0.84 HRH4 (0.62) HRH4ROCK1HTR3A
SCHEMBL3467504 0.84 HRH4 (0.69) HRH4ROCK1HTR3ANUDT1
SCHEMBL3467508 0.84 HRH4 (0.69) HRH4ROCK1HTR3ANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966162-B1 PYRIMIDINE DERIVATIVES ZIARCO PHARMA LTD (GB) 2017-03-15 EP disclosed
US-7943628-B2 Pyrimidine derivatives PFIZER LIMITED (GB) 2011-05-17 US disclosed
WO-2010072829-A1 SELECTIVE HISTAMINE H4 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF VESTIBULAR DISORDERS. INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2010-07-01 WO disclosed
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 3749/4885HTR3A 1577/4885

“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.