SCHEMBL1715013

SCHEMBL1715013

CC(C)(C)OC(=O)N(CCCOc1ccc(C#N)cc1)C1CCN(CCCOc2ccc(C#N)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.54
HRH2 P25021 8/20 0.54
HRH1 P35367 8/20 0.54
MEN1 O00255 11/20 0.52
KMT2A Q03164 2/20 0.49

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
SCHEMBL1713974 0.90 HRH3 (0.46) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1715453 0.88 HRH3 (0.50) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1715204 0.86 MMP2 (0.41) HRH3HRH2HRH1
SCHEMBL1714536 0.79 HRH2 (0.60) HRH3HRH2HRH1MEN1
SCHEMBL7245807 0.77 HRH2 (0.71) HRH3HRH2HRH1
SCHEMBL5622767 0.76 HRH3 (0.50) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1714253 0.75 HRH2 (0.68) HRH3HRH2HRH1
SCHEMBL12461933 0.75 HRH3 (0.54) HRH3HRH2HRH1MEN1KMT2A
SCHEMBL1714805 0.75 HRH2 (0.68) HRH3HRH2HRH1
SCHEMBL1619383 0.75 KCNH2 (0.51) HRH3HRH2HRH1MEN1

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-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
US-20050113424-A1 Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD (JP) 2005-05-26 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP 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-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA HRH3 395/4885HRH2 284/4885HRH1 386/4885

“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.