SCHEMBL4473136

SCHEMBL4473136

Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OCCCN2CCC[C@H]2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.75
KCNH2 Q12809 11/20 0.75

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
SCHEMBL502097 0.89 HRH3 (0.75) HRH3KCNH2
SCHEMBL4466277 0.89 HRH3 (0.77) HRH3KCNH2
SCHEMBL4462513 0.89 HRH3 (0.77) HRH3KCNH2
SCHEMBL4485987 0.87 HRH3 (0.75) HRH3KCNH2
SCHEMBL4463125 0.86 HRH3 (0.75) HRH3KCNH2
Mk-0249 SCHEMBL119607 0.86 HRH3 (1.00) HRH3KCNH2
Mk-0249 SCHEMBL29378542 0.86 HRH3 (1.00) HRH3KCNH2
SCHEMBL12150097 0.85 HRH3 (0.85) HRH3KCNH2
SCHEMBL4475999 0.85 HRH3 (0.98) HRH3KCNH2
SCHEMBL12150041 0.85 HRH3 (0.81) 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 7 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
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US claimed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US claimed
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
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 299/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885

“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.