SCHEMBL5986932

SCHEMBL5986932

CCCOCc1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 3/20 0.48
GLA P06280 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
SCN8A Q9UQD0 1/20 0.44
MAOB P27338 4/20 0.43
HTR6 P50406 2/20 0.42
GRM5 P41594 1/20 0.41
MAOA P21397 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL20551473 0.90 MRGPRX4 (0.53) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL13601191 0.86 MRGPRX4 (0.50) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL6668868 0.86 MRGPRX4 (0.55) MRGPRX4GLAFFAR1FFAR4MAOB
SCHEMBL2773842 0.85 GLA (0.48) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL30807351 0.85 GLA (0.48) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL2774422 0.83 FFAR1 (0.48) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL4165417 0.83 MRGPRX4 (0.48) MRGPRX4GLAFFAR1FFAR4SCN8A
SCHEMBL1310466 0.82 TSHR (0.42)
SCHEMBL22469683 0.81 TSHR (0.56) MRGPRX4GLAFFAR1FFAR4MAOB
SCHEMBL31568453 0.81 TSHR (0.56) MRGPRX4GLAFFAR1FFAR4MAOB

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2447264-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-05-02 EP disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 EP disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (3 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 MRGPRX4 451/4885GLA 3089/4885FFAR1 2019/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 MRGPRX4 266/4885GLA 3719/4885FFAR1 1534/4885
US-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 MRGPRX4 640/4885GLA 1564/4885FFAR1 2159/4885

“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.