SCHEMBL4478298

SCHEMBL4478298

Nc1ccc(OC2CCN(C3CCC3)CC2)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 19/20 0.44
KCNH2 Q12809 4/20 0.41
CYP2D6 P10635 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL20021966 0.82 CSNK2A1 (0.44) MEN1KMT2A
SCHEMBL5864721 0.81 SCN8A (0.49) HRH3KCNH2MEN1KMT2A
SCHEMBL20384187 0.81 CSNK2A1 (0.43) MEN1KMT2A
SCHEMBL737639 0.77 HRH3 (0.63) HRH3KCNH2
SCHEMBL5813904 0.75 MEN1 (0.56) HRH3KCNH2CYP2D6MEN1KMT2A
SCHEMBL20443368 0.75 MCHR1 (0.43) MEN1KMT2A
SCHEMBL21191007 0.75 SYK (0.44)
SCHEMBL4167743 0.74 SLC6A2 (0.53) KCNH2CYP2D6MEN1KMT2A
SCHEMBL4167740 0.74 SLC6A2 (0.53) KCNH2CYP2D6MEN1KMT2A
SCHEMBL4464014 0.74 HRH3 (0.68) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (2 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885CYP2D6 404/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885CYP2D6 404/4885

“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.