SCHEMBL504454

SCHEMBL504454

O=C(OCc1ccccc1)N1CCC=CCC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.52
GRIN2B Q13224 4/20 0.52
HTT P42858 1/20 0.52
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
HTR2C P28335 2/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
HRH2 P25021 1/20 0.49
HTR1B P28222 1/20 0.49

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
SCHEMBL376817 0.92 MEN1 (0.58) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL771824 0.90 MEN1 (0.68) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL3970912 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4814264 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7393652 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL379160 0.90 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL15011579 0.88 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
Bicarbonate SCHEMBL4357688 0.88 MEN1 (0.73) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.86 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.86 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 WO disclosed
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS NOVIRA THERAPEUTICS, INC. 2019-01-17 US disclosed
WO-2013083741-A1 1,2,4 -TRIAZOLES AS ALLOSTERIC MODULATORS OF MGLU5 RECEPTOR ACTIVITY FOR THE TREATMENT OF SCHIZOPHRENIA OF DEMENTIA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-13 WO disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
US-20130143870-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-06 US disclosed
EP-2414340-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF Dainippon Sumitomo Pharma Co., Ltd. (JP) 2012-02-08 EP disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 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-20190016682-A1 AZEPANE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885NPSR1 3654/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 MEN1 94/4885KMT2A 4129/4885NPSR1 2459/4885
US-10392349-B2 Azepane derivatives and methods of treating hepatitis B infections HAVCR2, HDGF, AZI2 MEN1 3142/4885KMT2A 3876/4885NPSR1 3654/4885
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 MEN1 3592/4885KMT2A 1661/4885NPSR1 174/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 MEN1 94/4885KMT2A 4129/4885NPSR1 2459/4885
US-20130143870-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 MEN1 4793/4885KMT2A 1800/4885NPSR1 363/4885

“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.