SCHEMBL1035189

SCHEMBL1035189

O=c1cc(Br)ccn1CC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 6/20 0.45
PI4KB Q9UBF8 6/20 0.45
PIK3CG P48736 5/20 0.45
PIK3CA P42336 3/20 0.45
PIK3CD O00329 2/20 0.45
GRIA2 P42262 1/20 0.45
GRIN2A Q12879 1/20 0.45
HTR7 P34969 1/20 0.44
GRM2 Q14416 4/20 0.41
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIP5K1C O60331 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35

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
SCHEMBL29079028 0.93 HTR7 (0.42) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL26006408 0.79 GRIA2 (0.48) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL1039375 0.79 PI4KA (0.45) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL31108104 0.77 FPR2 (0.51)
SCHEMBL26005496 0.75 GRIA2 (0.45) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL13522290 0.75 PI4KA (0.42) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL31241109 0.74 HTR7 (0.50) HTR7GRM2
SCHEMBL2416860 0.74 HTR7 (0.47) HTR7GRM2
SCHEMBL2536105 0.73 PIK3CD (0.40) PI4KAPI4KBPIK3CGPIK3CAPIK3CD
SCHEMBL20705071 0.73 HSP90AA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856736-B1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2026-05-06 EP disclosed
US-12202816-B2 Compounds as NADPH oxidase inhibitors CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2025-01-21 US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 US disclosed
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CALLIDITAS THERAPEUTICS SUISSE SA (CH) 2022-02-03 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
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
EP-3390387-B1 HETEROARYLBENZIMIDAZOLE COMPOUNDS Bayer Pharma AG (DE) 2021-11-17 EP disclosed
EP-3856736-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS GenKyoTex Suisse SA (CH) 2021-08-04 EP 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-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-12-15 US disclosed
US-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-12-15 US disclosed
US-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-12-15 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-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-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-20110306642-A1 3-AZABICYCLO[3.1.0]HEXYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM1, GRIN2C PI4KA 1307/4885PI4KB 1911/4885PIK3CG 576/4885
US-11071729-B2 1′,3′-disubstituted-4-phenyl-3,4,5,6-tetrahydro-2H,1′H-[1,4′]bipyridinyl-2′-ones GRM2, GRM1, GRIN2C PI4KA 1075/4885PI4KB 1863/4885PIK3CG 639/4885
US-20220000856-A1 1',3'-Disubstituted-4-Phenyl-3,4,5,6-Tetrahydro-2H,1'H-[1,4']Bipyridinyl-2'-Ones GRM2, GRM1, GRIN2C PI4KA 1112/4885PI4KB 1960/4885PIK3CG 689/4885
US-20100240688-A1 1,3-DISUBSTITUTED-4-PHENYL-3,4,5,6-TETRAHYDRO-2H,1 H-1,4 BIPYRIDINYL-2-ONES GRM2, GRM1, GRM3 PI4KA 1024/4885PI4KB 1988/4885PIK3CG 699/4885
US-12202816-B2 Compounds as NADPH oxidase inhibitors CYBB, NOX1, NOX4 PI4KA 1504/4885PI4KB 678/4885PIK3CG 1551/4885
US-20220033379-A1 NOVEL COMPOUNDS AS NADPH OXIDASE INHIBITORS CYBB, NOX1, NOX4 PI4KA 1416/4885PI4KB 628/4885PIK3CG 1330/4885

“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.