SCHEMBL4472906

SCHEMBL4472906

Cc1nc2ccccc2c(=O)n1-c1ccc(OCCCN2C(C)CCC2C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 1.00
KCNH2 Q12809 8/20 0.76
ADRA1A P35348 1/20 0.70

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
SCHEMBL4472631 1.00 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL5962253 1.00 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4462160 0.96 HRH3 (0.92) HRH3KCNH2ADRA1A
SCHEMBL4564809 0.91 HRH3 (0.83) HRH3KCNH2ADRA1A
SCHEMBL4565023 0.89 HRH3 (0.80) HRH3KCNH2ADRA1A
SCHEMBL3944761 0.86 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4465836 0.86 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4464124 0.86 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4476419 0.86 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4463080 0.85 HRH3 (1.00) HRH3KCNH2ADRA1A

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 11 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 claimed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP claimed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US claimed
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
CN-1918128-B fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD 2011-01-26 CN 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
CN-1918128-A Fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD (JP) 2007-02-21 CN 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 299/4885ADRA1A 100/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885ADRA1A 100/4885

“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.