SCHEMBL1037291

SCHEMBL1037291

CC(C)(O)c1ccc(C2CCNCC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
GRM2 Q14416 1/20 0.43
HTR2C P28335 10/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
HTR1A P08908 2/20 0.40
RPS6KA3 P51812 1/20 0.39
HTR6 P50406 2/20 0.38

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
SCHEMBL25145783 0.83 HTR2C (0.59) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
Hydrochloric Acid SCHEMBL4884777 0.81 HTR2C (0.60) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
SCHEMBL27811328 0.79 HTR6 (0.38) GRM2HTR2CSLC6A2SLC6A4SLC6A3
SCHEMBL25936731 0.78 HTR2C (0.44) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL10266582 0.76 SLC6A2 (0.58) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
SCHEMBL31222976 0.76 KDM1A (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL24310183 0.76 USP7 (0.52) CHRNB2CHRNA4HTR2CSLC6A2SLC6A4
SCHEMBL187795 0.75 SLC6A2 (0.55) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL30232333 0.75 SLC6A2 (0.55) CHRNB2CHRNA4SLC6A2SLC6A4SLC6A3
SCHEMBL18119998 0.75 OPRL1 (0.40) GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-9132122-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones Janssen Pharmaceuticals, Inc. (US) 2015-09-15 US disclosed
US-20130197019-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES ADDEX PHARMACEUTICALS S.A (CH) 2013-08-01 US disclosed
US-20130197019-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES ADDEX PHARMACEUTICALS S.A (CH) 2013-08-01 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
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-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
EP-2203439-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H, 1'H-Ý1, 4'¨BIPYRIDINYL-2'-ONES Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) 2010-07-07 EP 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
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 (6 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 CHRNB2 128/4885CHRNA4 72/4885GRM2 1/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C CHRNB2 140/4885CHRNA4 79/4885GRM2 1/4885
US-20130197019-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES GRM2, GRM1, GRIN2C CHRNB2 136/4885CHRNA4 74/4885GRM2 1/4885
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C CHRNB2 140/4885CHRNA4 79/4885GRM2 1/4885
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES GRM2, GRM1, GRM3 CHRNB2 145/4885CHRNA4 62/4885GRM2 1/4885
US-20150336930-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C CHRNB2 140/4885CHRNA4 79/4885GRM2 1/4885

“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.