SCHEMBL189493

SCHEMBL189493

[c]1ccccc1C1CNCCO1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD3 P35462 1/20 0.45
HTR2A P28223 2/20 0.43
HTR1A P08908 2/20 0.42
HRH1 P35367 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2D6 P10635 2/20 0.40
ADRB2 P07550 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ADRA2C P18825 1/20 0.38
CYP3A4 P08684 1/20 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
SCHEMBL20499600 0.90 DRD2 (0.37) DRD2DRD3HTR2AHTR1AHRH1
SCHEMBL1438338 0.76 DRD2 (0.46) DRD2DRD3
SCHEMBL444346 0.74 DRD2 (0.43) DRD2DRD3HTR2AHTR1A
SCHEMBL7284535 0.74
SCHEMBL467080 0.74 SMN1; SMN2 (0.35) KCNH2
SCHEMBL1626963 0.73 DRD2 (0.65) DRD2DRD3HTR2AHTR1A
SCHEMBL4536932 0.73 DRD2 (0.65) DRD2DRD3HTR2AHTR1A
SCHEMBL357358 0.73 DRD2 (0.65) DRD2DRD3HTR2AHTR1A
SCHEMBL8538844 0.73 DRD2 (0.65) DRD2DRD3HTR2AHTR1A
SCHEMBL4437538 0.72 TSHR (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761406-B Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2024-04-19 CN claimed
EP-3778576-B1 2-CYANOPYRIMIDIN-4-YL CARBAMATE OR UREA DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME HANLIM PHARMACEUTICAL CO LTD (KR) 2024-04-17 EP claimed
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP claimed
EP-3953356-B1 HEXAHYDRO-1H-PYRAZINO[1,2-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN LA ROCHE (CH) 2023-07-26 EP claimed
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US claimed
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-02-02 US claimed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US claimed
CN-113150025-B Silicon-center chiral silica compound and preparation method thereof 南方科技大学 2023-01-03 CN claimed
CN-114761406-A Hydropyrido [1,2-a ] pyrazine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-07-15 CN claimed
CN-114599652-A Hydropyrazino [1,2-d ] [1,4] diazepin compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2022-06-07 CN claimed
US-20060009528-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2006-01-12 US claimed
EP-1539662-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-06-15 EP claimed
WO-2005037285-A1 2,6-DISUBSTITUTED QUINAZOLINES, QUINOXALINES, QUINOLINES AND ISOQUINOLINES AS INHIBITORS OF RAF KINASE FOR TREATMENT OF CANCER CHIRON CORPORATION (US) 2005-04-28 WO claimed
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase CHIRON CORPORATION (US) 2005-04-21 US claimed
WO-2004014825-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-02-19 WO claimed
US-20030232859-A1 Cannabinoid receptor ligands SCHERING CORPORATION 2003-12-18 US claimed
EP-1368308-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2003-12-10 EP claimed
WO-2002062750-A9 CANNABINOID RECEPTOR LIGANDS SCHERING CORP (US) 2003-09-18 WO claimed
US-20030096844-A1 Sulfonamide-containing benzene derivatives which exhibit anti-inflammatory and immunodulatory activity SCHERING CORPORATION 2003-05-22 US claimed
WO-2002062750-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2002-08-15 WO claimed

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-20060009528-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 DRD2 601/4885DRD3 757/4885HTR2A 372/4885
US-20050085482-A1 2,6-Disubstituted quinazolines, quinoxalines, quinolines and isoquinolines and methods of their use as inhibitors of RAF kinase RAF1, BRAF, ARAF DRD2 2095/4885DRD3 3013/4885HTR2A 2953/4885
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 DRD2 1892/4885DRD3 2400/4885HTR2A 108/4885
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 DRD2 4349/4885DRD3 4702/4885HTR2A 2028/4885
US-20030096844-A1 Sulfonamide-containing benzene derivatives which exhibit anti-inflammatory and immunodulatory activity SULT2A1, NFKBIA, SULT1A1 DRD2 3772/4885DRD3 3928/4885HTR2A 3916/4885
US-20030232859-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 DRD2 924/4885DRD3 951/4885HTR2A 756/4885
US-20230034723-A1 HYDROPYRAZINO[1,2-D][1,4]DIAZEPINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HRH3, HRH4, HRH2 DRD2 209/4885DRD3 146/4885HTR2A 1906/4885

“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.