SCHEMBL1715005

SCHEMBL1715005

N#Cc1ccc(OCCCN2CCNCC2)cc1

nearest known ligand 0.91

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 17/20 0.91
HRH1 P35367 14/20 0.91
HRH2 P25021 13/20 0.91
MEN1 O00255 1/20 0.55
CACNA1B Q00975 1/20 0.55

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
SCHEMBL1714272 0.94 HRH3 (0.92) HRH3HRH1HRH2CACNA1B
SCHEMBL5229369 0.92 HRH3 (0.78) HRH3HRH1HRH2
SCHEMBL7252301 0.91 HRH3 (1.00) HRH3HRH1HRH2
SCHEMBL1715391 0.90 HRH3 (0.84) HRH3HRH1HRH2MEN1CACNA1B
SCHEMBL5623066 0.87 HRH3 (0.79) HRH3HRH1HRH2MEN1CACNA1B
SCHEMBL491845 0.87 HRH3 (0.97) HRH3HRH1HRH2CACNA1B
SCHEMBL1714440 0.86 HRH3 (0.88) HRH3HRH1HRH2CACNA1B
SCHEMBL492096 0.86 HRH3 (1.00) HRH3HRH1HRH2CACNA1B
SCHEMBL491825 0.86 HRH3 (1.00) HRH3HRH1HRH2CACNA1B
SCHEMBL5855947 0.86 HRH3 (0.94) HRH3HRH1HRH2CACNA1B

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-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
US-6559140-B2 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBOTT LABORATORIES 2003-05-06 US disclosed
US-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists ABBVIE INC. 2001-12-06 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-20010049367-A1 Cyclic and bicyclic diamino histamine-3 receptor antagonists HRH4, HRH2, HRH3 HRH3 3/4885HRH1 4/4885HRH2 2/4885
US-20050113424-A1 Novel arylamidine derivative or salt thereof SLC7A1, NAT1, NACA HRH3 395/4885HRH1 386/4885HRH2 284/4885

“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.