SCHEMBL1775847

SCHEMBL1775847

CN1C[C@@H]2CN(c3cc(NCCC(C)(C)C)ncn3)C[C@@H]2C1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 15/20 0.71
HRH3 Q9Y5N1 5/20 0.71
HRH2 P25021 2/20 0.71
PRCP P42785 2/20 0.39
PIK3CB P42338 1/20 0.34

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
SCHEMBL1773455 0.85 HRH4 (0.67) HRH4HRH3HRH2PRCPPIK3CB
SCHEMBL1774559 0.84 HRH4 (0.67) HRH4HRH3HRH2PRCP
SCHEMBL1774550 0.83 HRH4 (1.00) HRH4HRH3HRH2
SCHEMBL1774162 0.83 HRH4 (0.49) HRH4HRH3HRH2PRCPPIK3CB
SCHEMBL1773859 0.83 HRH4 (0.49) HRH4HRH3HRH2PRCPPIK3CB
SCHEMBL1775104 0.82 HRH4 (0.64) HRH4HRH3HRH2PRCP
SCHEMBL5153086 0.81 HRH4 (0.73) HRH4HRH3HRH2
SCHEMBL1774171 0.81 HRH4 (0.72) HRH4HRH3HRH2PRCP
SCHEMBL4700406 0.81 HRH4 (0.61) HRH4HRH3HRH2PRCPPIK3CB
SCHEMBL4700407 0.81 HRH4 (0.61) HRH4HRH3HRH2PRCPPIK3CB

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
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
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 184/4885HRH3 187/4885HRH2 257/4885

“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.