SCHEMBL1714545

SCHEMBL1714545

CC(C)(C)OC(=O)NCCCCCCN1CCN(CCCOc2ccc(C#N)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.56
HRH3 Q9Y5N1 6/20 0.54
CA12 O43570 4/20 0.53
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA9 Q16790 4/20 0.53
HRH2 P25021 4/20 0.53
HRH1 P35367 4/20 0.53
MGLL Q99685 1/20 0.50

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
SCHEMBL1714612 0.86 HRH3 (0.60) DRD2HRH3HRH2HRH1
SCHEMBL7244497 0.86 HRH1 (0.60) HRH3HRH2HRH1
SCHEMBL25080803 0.85 CA12 (0.65) CA12CA1CA2CA9MGLL
SCHEMBL3129914 0.84 KCNH2 (0.54) HRH3CA12CA1CA2CA9
SCHEMBL1714805 0.84 HRH2 (0.68) HRH3HRH2HRH1
SCHEMBL7249427 0.83 HRH1 (0.62) HRH3HRH2HRH1
SCHEMBL2964384 0.82 KCNH2 (0.56) HRH3CA12CA1CA2CA9
SCHEMBL13140981 0.82 CA12 (0.64) CA12CA1CA2CA9MGLL
SCHEMBL7245807 0.81 HRH2 (0.71) HRH3HRH2HRH1
SCHEMBL3128796 0.81 KCNH2 (0.51) DRD2HRH3CA12CA1CA2

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 4 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
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 DRD2 1292/4885HRH3 395/4885CA12 3055/4885

“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.