SCHEMBL1714712

SCHEMBL1714712

N#Cc1ccc(OCCCN2CCN(c3ccc(C#N)cc3)CC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.77
HRH1 P35367 11/20 0.77
HRH2 P25021 7/20 0.68
HTR1A P08908 5/20 0.64
DRD2 P14416 5/20 0.64
HTR2A P28223 5/20 0.64
DRD3 P35462 5/20 0.64
TMEM97 Q5BJF2 4/20 0.64
SIGMAR1 Q99720 4/20 0.64
KCNH2 Q12809 1/20 0.64
DRD1 P21728 1/20 0.61
DRD5 P21918 1/20 0.61
SLC6A4 P31645 1/20 0.58

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
SCHEMBL1714405 0.94 HRH3 (0.74) HRH3HRH1HRH2HTR1ADRD2
SCHEMBL1715391 0.91 HRH3 (0.84) HRH3HRH1HRH2
SCHEMBL5623066 0.88 HRH3 (0.79) HRH3HRH1HRH2
SCHEMBL14393458 0.86 HRH3 (0.88) HRH3HRH1HRH2
SCHEMBL1714440 0.86 HRH3 (0.88) HRH3HRH1HRH2
SCHEMBL23097577 0.85 HRH3 (0.59) HRH3HRH1HRH2HTR1ADRD2
SCHEMBL7295095 0.85 HRH3 (0.75) HRH3HRH1HRH2DRD3
Hydrochloric Acid SCHEMBL1714618 0.85 HRH3 (0.86) HRH3HRH1HRH2
SCHEMBL491845 0.84 HRH3 (0.97) HRH3HRH1HRH2
SCHEMBL24324260 0.84 HRH3 (0.73) HRH3HRH1HRH2SIGMAR1

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 395/4885HRH1 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.