SCHEMBL1041309

SCHEMBL1041309

c1cnc2c(c1)CCNCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.54
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
PNMT P11086 1/20 0.43
CD44 P16070 1/20 0.43
MAOB P27338 1/20 0.43
HTR2A P28223 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
HTR6 P50406 2/20 0.41
HTR3A P46098 1/20 0.41
HTR2B P41595 5/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
ADRB2 P07550 1/20 0.40
CHRM2 P08172 1/20 0.40

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
SCHEMBL588622 0.86 PNMT (0.52) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL30331914 0.86 PNMT (0.52) HTR2CPNMTCD44MAOBHTR2A
SCHEMBL12822 0.86 PNMT (0.52) HTR2CPNMTCD44MAOBHTR2A
Hydrochloric Acid SCHEMBL2378664 0.84 PNMT (0.50) HTR2CPNMTCD44MAOBPOLB
Hydrochloric Acid SCHEMBL6607726 0.84 PNMT (0.50) HTR2CPNMTCD44MAOBPOLB
Hydrochloric Acid SCHEMBL15410642 0.84 PNMT (0.50) HTR2CCHRNB2CHRNA4PNMTCD44
Hydrochloric Acid SCHEMBL12985101 0.84 PNMT (0.50) HTR2CCHRNB2CHRNA4PNMTCD44
SCHEMBL8348677 0.80
SCHEMBL17413659 0.80 DRD2 (0.42) HTR2CHTR2ACHRM1HTR2BDRD2
Bromide SCHEMBL8777272 0.78 DRD2 (0.41) HTR2CHTR2ACHRM1HTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 US disclosed
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands PFIZER INC. (US) 2022-07-19 US disclosed
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose ABBVIE INC. (US) 2022-04-26 US disclosed
US-11001698-B2 Stabilizer composition BASF SE 2021-05-11 US disclosed
CN-108147994-B Key intermediate of 6,7,8, 9-tetrahydro-5H-pyrido [2,3-d ] azepine and preparation method thereof 南京药石科技股份有限公司 2021-02-26 CN disclosed
CN-108147994-B Key intermediate of 6,7,8, 9-tetrahydro-5H-pyrido [2,3-d ] azepine and preparation method thereof 南京药石科技股份有限公司 2021-02-26 CN disclosed
CN-108147994-B Key intermediate of 6,7,8, 9-tetrahydro-5H-pyrido [2,3-d ] azepine and preparation method thereof 南京药石科技股份有限公司 2021-02-26 CN disclosed
US-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE AbbVie Deutschland GmbH & Co. KG (DE) 2021-01-21 US disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
EP-3402796-B1 6,7,8,9-TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINE DOPAMINE D3 LIGANDS PFIZER (US) 2020-11-18 EP disclosed
EP-1961744-A1 BASIC GROUP-CONTAINING COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-08-27 EP disclosed
WO-2008009125-A9 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS NPS ALLELIX CORP (CA) 2008-07-24 WO disclosed
EP-1942108-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-09 EP disclosed
WO-2008009125-A1 TETRAHYDRO-5H-PYRIDO[2,3-D]AZEPINES AS 5-HT2C LIGANDS CASCADE THERAPEUTICS INC. (CA) 2008-01-24 WO disclosed
US-20080009495-A1 Compound Containing Basic Group and Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-10 US disclosed
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2007-12-06 US disclosed
WO-2007134298-A2 THERAPEUTIC COMPOUNDS AND THEIR USE IN CANCER MYRIAD GENETICS, INC. (US) 2007-11-22 WO disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 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 (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-20210017100-A1 ORGANIC REACTIONS CARRIED OUT IN AQUEOUS SOLUTION IN THE PRESENCE OF A HYDROXYALKYL(ALKYL)CELLULOSE OR AN ALKYLCELLULOSE LIPA, ALG1, CEL HTR2C 3446/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-20070281918-A1 PYRIDOAZEPINE DERIVATIVES HTR2C, HTR5A, HTR2A HTR2C 1/4885CHRNB2 69/4885CHRNA4 38/4885
US-11390623-B2 6,7,8,9-tetrahydro-5H-pyrido[2,3-d]azepine dopamine D3 ligands DRD3, DRD2, DRD4 HTR2C 18/4885CHRNB2 64/4885CHRNA4 26/4885
US-11312668-B2 Organic reactions carried out in aqueous solution in the presence of a hydroxyalkyl(alkyl)cellulose or an alkylcellulose LIPA, ALG1, CEL HTR2C 3446/4885CHRNB2 2785/4885CHRNA4 3379/4885
US-20080009495-A1 Compound Containing Basic Group and Use Thereof CXCR4, CCR5, CXCR3 HTR2C 3370/4885CHRNB2 1408/4885CHRNA4 1629/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 HTR2C 1035/4885CHRNB2 1365/4885CHRNA4 521/4885

“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.