SCHEMBL1715337

SCHEMBL1715337

Cc1cc(C#N)ccc1OCCCCl

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
AR P10275 3/20 0.44
SSTR4 P31391 1/20 0.41
TRPV4 Q9HBA0 1/20 0.40
MAPT P10636 1/20 0.40
ICMT O60725 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
S1PR1 P21453 1/20 0.38
SCN8A Q9UQD0 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL7226578 0.88 HRH3 (0.42) MRGPRX4ARMAPTALDH1A1
SCHEMBL25801732 0.87 MRGPRX4 (0.48) MRGPRX4ARSSTR4TRPV4MAPT
SCHEMBL12461366 0.85 MRGPRX4 (0.47) MRGPRX4ARSSTR4TRPV4MAPT
SCHEMBL27536051 0.85 MRGPRX4 (0.50) MRGPRX4ARSSTR4MAPTKDM4E
SCHEMBL29578385 0.84 TRPV4 (0.43) MRGPRX4ARTRPV4ICMTSLC6A4
SCHEMBL19473011 0.84 ALDH1A1 (0.51) MRGPRX4KDM4ES1PR1ALDH1A1
SCHEMBL19430793 0.84 ALDH1A1 (0.51) MRGPRX4KDM4ES1PR1ALDH1A1
SCHEMBL14393263 0.84 MRGPRX4 (0.49) MRGPRX4ARSSTR4TRPV4MAPT
SCHEMBL25212014 0.83 MRGPRX4 (0.48) MRGPRX4ARSSTR4TRPV4MAPT
SCHEMBL458608 0.82 AR (0.51) ARTRPV4MAPTICMTALDH1A1

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
EP-1481966-B1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2011-07-20 EP disclosed
CN-100579957-C Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD 2010-01-13 CN disclosed
US-7291617-B2 Arylamidine derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-06 US disclosed
CN-1642906-A Novel arylamidine derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2005-07-20 CN 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 MRGPRX4 605/4885AR 964/4885SSTR4 275/4885

“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.