SCHEMBL587771

SCHEMBL587771

COc1cc2c(cn1)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNA2 Q15822 1/20 0.44
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ASIC3 Q9UHC3 2/20 0.40
CD274 Q9NZQ7 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PNMT P11086 1/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 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
SCHEMBL30133713 1.00 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
SCHEMBL21326130 0.93 CHRNB2 (0.44) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
Hydrochloric Acid SCHEMBL25324792 0.92 CHRNB2 (0.43) CHRNB2CHRNB4CHRNA4CHRNA2DRD2
SCHEMBL29640882 0.85 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL10067119 0.77 ASIC3 (0.43) HTR2CHTR2BASIC3DRD2DRD3
SCHEMBL7238336 0.76 NOS3 (0.50) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A
SCHEMBL27884524 0.76 NOS3 (0.45) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL17892754 0.74 RYR2 (0.56) CHRNB2CHRNB4CHRNA4CHRNA2
SCHEMBL1721036 0.74 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA4CHRNA2DRD2
SCHEMBL3034518 0.74 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA4CHRNA2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552811-B2 Immunosuppressant, and preparation method therefor and use thereof ABBISKO THERAPEUTICS CO., LTD. (CN) 2026-02-17 US disclosed
US-20230234970-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-07-27 US disclosed
US-20230234970-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2023-07-27 US disclosed
EP-4174066-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-05-03 EP disclosed
EP-4174066-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2023-05-03 EP disclosed
CN-115605475-A Immunosuppressant, preparation method and application thereof 上海和誉生物医药科技有限公司(CN) 2023-01-13 CN disclosed
WO-2021254005-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海和誉生物医药科技有限公司 2021-12-23 WO disclosed
CN-107624113-B Tetrahydropyridopyrimidines and tetrahydropyridopyridines as inhibitors of HBsAg (HBV surface antigen) and HBV DNA production for the treatment of hepatitis B virus infection 豪夫迈·罗氏有限公司 2020-10-23 CN disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
EP-3240537-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-09-09 EP disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-02-07 US disclosed
EP-1831196-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1831199-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065215-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006065216-A1 NOVEL HYDANTOIN DERIVATIVES AS METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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 (4 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-12552811-B2 Immunosuppressant, and preparation method therefor and use thereof CD274, PDCD1, PDCD1LG2 CHRNB2 4069/4885CHRNB4 4084/4885CHRNA4 3082/4885
US-20080032997-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 CHRNB2 4301/4885CHRNB4 4609/4885CHRNA4 4597/4885
US-20230234970-A1 IMMUNOSUPPRESSANT, AND PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 CHRNB2 4877/4885CHRNB4 4879/4885CHRNA4 4864/4885
US-20080293743-A1 Novel Hydantoin Derivatives as Metalloproteinase Inhibitors MMP1, MMP2, MMP9 CHRNB2 4301/4885CHRNB4 4609/4885CHRNA4 4597/4885

“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.