SCHEMBL1582287

SCHEMBL1582287

CCC[CH]C1CNCCO1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ADRA2C P18825 1/20 0.30

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
SCHEMBL6689623 0.91 ADRB2 (0.31) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL5153 0.86
SCHEMBL3308133 0.83 ADRB2 (0.31) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL4344426 0.82
SCHEMBL27401809 0.78
SCHEMBL3304257 0.77 ADRB2 (0.30) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL3308458 0.74 ADRB2 (0.33) ADRB2HTR1ASLC6A2HTR2ASLC6A4
SCHEMBL16193885 0.74
SCHEMBL4753 0.74
SCHEMBL5264819 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117843566-A Polysubstituted benzene derivative, composition and use thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN claimed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN claimed
EP-1647555-B1 THE C-GLYCOSYLISOFLAVONES HAVING ALKYLAMINOALKOXYL SUBSTITUENT, THE PREPARATION AND THE USE OF THE SAME INST RADIATION MED AMMS PLA (CN) 2011-04-20 EP claimed
US-7727965-B2 C-glycosylisoflavones having alkylaminoalkoxyl substituent, preparation and use of the same HAINAN YANGPU NEW & SPECIAL MEDICINE CO., LTD. (CN) 2010-06-01 US claimed
US-20080293642-A1 C-Glycosylisoflavones Having Alkylaminoalkoxyl Substituent, Preparation and Use of the Same INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2008-11-27 US claimed
EP-1647555-A1 THE C-GLYCOSYLISOFLAVONES HAVING ALKYLAMINOALKOXYL SUBSTITUENT, THE PREPARATION AND THE USE OF THE SAME Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-04-19 EP claimed
CN-117843566-A Polysubstituted benzene derivative, composition and use thereof 康迈迪森(北京)医药科技有限公司 2024-04-09 CN disclosed
CN-108948019-B Focal adhesion kinase inhibitors and uses thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed
US-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LIMITED (GB) 2014-09-18 US disclosed
EP-2755975-A1 NEW ENZYME INHIBITOR COMPOUNDS Proximagen Limited (GB) 2014-07-23 EP disclosed
WO-2013038189-A1 NEW ENZYME INHIBITOR COMPOUNDS PROXIMAGEN LTD. (GB) 2013-03-21 WO disclosed
EP-1647555-B1 THE C-GLYCOSYLISOFLAVONES HAVING ALKYLAMINOALKOXYL SUBSTITUENT, THE PREPARATION AND THE USE OF THE SAME INST RADIATION MED AMMS PLA (CN) 2011-04-20 EP disclosed
US-7727965-B2 C-glycosylisoflavones having alkylaminoalkoxyl substituent, preparation and use of the same HAINAN YANGPU NEW & SPECIAL MEDICINE CO., LTD. (CN) 2010-06-01 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
WO-2001012587-A1 AMINOSALICYLCLIC ACID AMIDES AND THEIR USE FOR COMBATING ORGANISMS THAT ARE HARMFUL TO PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed
EP-0177287-B1 PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-05 EP disclosed
US-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 EP disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 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 (2 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-20080293642-A1 C-Glycosylisoflavones Having Alkylaminoalkoxyl Substituent, Preparation and Use of the Same UGCG, PIGO, GPI ADRB2 1154/4885HTR1A 3438/4885SLC6A2 1524/4885
US-20140275063-A1 NEW ENZYME INHIBITOR COMPOUNDS XDH, MAOB, MAOA ADRB2 741/4885HTR1A 576/4885SLC6A2 868/4885

“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.