SCHEMBL1040149

SCHEMBL1040149

O=c1cc(OCc2ccccc2)ccn1CC1CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.68
MCHR1 Q99705 9/20 0.54
CYP2D6 P10635 1/20 0.52
HRH1 P35367 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
KCNH2 Q12809 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL1522893 0.95 MAPK14 (0.65) MAPK14MCHR1CYP2D6HRH1HRH3
SCHEMBL26017766 0.83 MAPK14 (0.64) MAPK14MCHR1
SCHEMBL6470884 0.83 MAPK14 (0.54) MAPK14MCHR1KCNH2
SCHEMBL2177074 0.81 MAPK14 (1.00) MAPK14MCHR1
SCHEMBL4484736 0.80 MAPK14 (0.76) MAPK14MCHR1KCNH2
SCHEMBL27602601 0.80 MCHR1 (0.54) MAPK14MCHR1KCNH2
Trifluoroacetic Acid SCHEMBL4470437 0.78 MAPK14 (0.48) MAPK14MCHR1KCNH2
SCHEMBL18324516 0.78 MAPK14 (0.72) MAPK14MCHR1KCNH2
SCHEMBL4045555 0.78 MAPK14 (0.72) MAPK14MCHR1
SCHEMBL4488171 0.77 HTR6 (0.50) MAPK14MCHR1

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN INC. 2023-08-24 US disclosed
WO-2022006386-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-01-06 WO disclosed
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2022-01-06 US disclosed
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2022-01-06 US disclosed
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones ADDEX PHARMACEUTICALS S.A. (CH) 2021-07-27 US disclosed
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones ADDEX PHARMACEUTICALS S.A. (CH) 2021-07-27 US disclosed
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2020-02-06 US disclosed
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2020-02-06 US disclosed
US-20150336930-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2015-11-26 US disclosed
US-20150336930-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones JANSSEN PHARMACEUTICALS INC (US) 2015-11-26 US disclosed
EP-2203439-B1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-Ý1, 4'¨BIPYRIDINYL-2'-ONES ORTHO MCNEIL JANSSEN PHARM (US) 2011-01-26 EP disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-11-11 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2010-09-23 US disclosed
WO-2010025890-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2010-03-11 WO disclosed
WO-2009033702-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO disclosed
WO-2009033704-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-[1, 4'] BIPYRIDINYL-2'-ONES ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2009-03-19 WO 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 (7 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-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones GRM2, GRM1, GRIN2C MAPK14 3169/4885MCHR1 405/4885CYP2D6 397/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C MAPK14 3195/4885MCHR1 363/4885CYP2D6 388/4885
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C MAPK14 3195/4885MCHR1 363/4885CYP2D6 388/4885
US-20100286206-A1 1,3-DISUBSTITUTED 4-(ARYL-X-PHENYL)-1H-PYRIDIN-2-ONES GRM2, GRM1, GRM3 MAPK14 2957/4885MCHR1 564/4885CYP2D6 597/4885
US-20230265098-A1 ALKYNE QUINAZOLINE DERIVATIVES AS INHIBITORS OF ERBB2 ERBB2, ERBB3, CHEK2 MAPK14 177/4885MCHR1 4588/4885CYP2D6 1692/4885
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES GRM2, GRM1, GRM3 MAPK14 3288/4885MCHR1 349/4885CYP2D6 541/4885
US-20150336930-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C MAPK14 3195/4885MCHR1 363/4885CYP2D6 388/4885

“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.