SCHEMBL1038503

SCHEMBL1038503

COC(=O)c1ccc(C2CCN(c3ccn(CC4CC4)c(=O)c3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 11/20 0.45
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL1037054 0.87 GRM2 (0.49) GRM2
SCHEMBL1035619 0.81 GRM2 (0.66) GRM2
SCHEMBL3008355 0.71 ALDH1A1 (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL63894 0.70 HDAC3 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL22324781 0.70 ALDH1A1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6134488 0.69 ALDH1A1 (0.52) ALDH1A1NPC1RAB9AKDM4EHPGD
SCHEMBL63749 0.69 KDM4E (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13267179 0.69 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL27942150 0.69 ALDH1A1 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15178478 0.69 HSD17B10 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E

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 26 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-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-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-20130196992-A1 1',3'-DISUBSTITUTED-4-PHENY-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
US-20130196992-A1 1',3'-DISUBSTITUTED-4-PHENY-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES ADDEX PHARMACEUTICALS S.A (CH) 2013-08-01 US disclosed
US-20130196992-A1 1',3'-DISUBSTITUTED-4-PHENY-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
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 GRM2 1/4885ALDH1A1 1161/4885CNR2 29/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C GRM2 1/4885ALDH1A1 1111/4885CNR2 29/4885
US-20130197019-A1 1',3'-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES GRM2, GRM1, GRIN2C GRM2 1/4885ALDH1A1 1105/4885CNR2 29/4885
US-20200038391-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C GRM2 1/4885ALDH1A1 1111/4885CNR2 29/4885
US-20130196992-A1 1',3'-DISUBSTITUTED-4-PHENY-3,4,5,6-TETRAHYDRO-2H,1'H-[1,4']BIPYRIDINYL-2'-ONES GRM2, GRM1, GRM3 GRM2 1/4885ALDH1A1 1429/4885CNR2 32/4885
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES GRM2, GRM1, GRM3 GRM2 1/4885ALDH1A1 1208/4885CNR2 32/4885
US-20150336930-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C GRM2 1/4885ALDH1A1 1111/4885CNR2 29/4885

“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.