SCHEMBL1723767

SCHEMBL1723767

N#Cc1ccc(OCCCN2CCN(CCCOc3ccc(C#N)c(F)c3)CC2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.54
HRH1 P35367 9/20 0.51
HRH2 P25021 7/20 0.51
DRD3 P35462 4/20 0.48
EGLN2 Q96KS0 1/20 0.47
ATF4 P18848 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTR1A P08908 2/20 0.46
DRD2 P14416 2/20 0.46
HTR2A P28223 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
TMEM97 Q5BJF2 1/20 0.46
PLA2G7 Q13093 1/20 0.46
DRD1 P21728 1/20 0.45

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
SCHEMBL491704 0.93 HRH3 (0.64) HRH3HRH1HRH2EGLN2
SCHEMBL7246784 0.91 HRH3 (0.63) HRH3HRH1HRH2EGLN2
SCHEMBL3564647 0.88 MEN1 (0.48) HRH3HRH1HRH2SIGMAR1
SCHEMBL7244494 0.87 HRH3 (0.66) HRH3HRH1HRH2EGLN2
SCHEMBL3558558 0.84 SIGMAR1 (0.56) HRH3HRH1HRH2SIGMAR1
SCHEMBL3559203 0.84 SIGMAR1 (0.56) HRH3HRH1HRH2SIGMAR1
SCHEMBL7251887 0.84 HRH2 (0.52) HRH3HRH1HRH2
SCHEMBL7251662 0.84 HRH2 (0.60) HRH3HRH1HRH2
SCHEMBL7786637 0.81 HRH2 (0.45) HRH3HRH1HRH2ATF4ALDH1A1
SCHEMBL7246082 0.81 GPR119 (0.51) HRH3HRH1HRH2

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.