SCHEMBL1715355

SCHEMBL1715355

N#Cc1ccc(CN2CCN(CCCOc3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.71
ACHE P22303 1/20 0.68
RAD52 P43351 1/20 0.68
HRH2 P25021 6/20 0.68
HRH1 P35367 6/20 0.68
CACNA1B Q00975 1/20 0.59

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
SCHEMBL1715391 0.91 HRH3 (0.84) HRH3HRH2HRH1CACNA1B
SCHEMBL5623066 0.88 HRH3 (0.79) HRH3HRH2HRH1CACNA1B
SCHEMBL14393458 0.86 HRH3 (0.88) HRH3HRH2HRH1
SCHEMBL1714440 0.86 HRH3 (0.88) HRH3HRH2HRH1CACNA1B
Hydrochloric Acid SCHEMBL1714618 0.85 HRH3 (0.86) HRH3HRH2HRH1
SCHEMBL7295095 0.85 HRH3 (0.75) HRH3HRH2HRH1
SCHEMBL491845 0.84 HRH3 (0.97) HRH3HRH2HRH1CACNA1B
SCHEMBL24324260 0.84 HRH3 (0.73) HRH3HRH2HRH1
SCHEMBL491825 0.83 HRH3 (1.00) HRH3ACHERAD52HRH2HRH1
SCHEMBL492096 0.83 HRH3 (1.00) HRH3ACHERAD52HRH2HRH1

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 5 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-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 395/4885ACHE 4870/4885RAD52 2092/4885

“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.