SCHEMBL12435372

SCHEMBL12435372

O=C[C@H]1CCc2cc(F)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
HTR2A P28223 2/20 0.51
MLNR O43193 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CHRM1 P11229 1/20 0.51
KCNE1 P15382 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
SLC6A2 P23975 1/20 0.51
NPY1R P25929 1/20 0.51
HTR2C P28335 1/20 0.51
AVPR2 P30518 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
OPRM1 P35372 1/20 0.51

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
SCHEMBL6846721 1.00 HTR1A (0.51) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL1734551 1.00 HTR1A (0.51) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL1734549 1.00 HTR1A (0.51) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL10510209 0.81 CYP4F2 (0.36) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL8864150 0.81 ESR1 (0.36) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL27849144 0.81 ESR1 (0.56) DRD2DRD3OPRK1ESR1ESR2
SCHEMBL22613778 0.81 ESR1 (0.39) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL27675947 0.79 DRD2 (0.44) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL10510220 0.78 DRD2 (0.37) HTR1ADRD2HTR2AMLNRADRB2
SCHEMBL10506849 0.77 DRD2 (0.43) DRD2DRD3HRH3SRD5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101020685-A Synthesis process of 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-epoxy ethane UNIV ZHEJIANG (CN) 2007-08-22 CN claimed
US-20220056003-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2022-02-24 US disclosed
US-11142512-B2 Nebivolol synthesis method and intermediate compound thereof ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2021-10-12 US disclosed
EP-3405467-B1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL MENARINI INT OPERATIONS LUXEMBOURG SA (LU) 2021-08-04 EP disclosed
US-20200102282-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2020-04-02 US disclosed
US-10392361-B2 Process for the synthesis of intermediates of Nebivolol MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2019-08-27 US disclosed
US-20190031636-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2019-01-31 US disclosed
US-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 US disclosed
US-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF ZHEJIANG AUSUN PHARMACEUTICAL CO., LTD. (CN) 2018-05-24 US disclosed
WO-2017125900-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL MENARINI INTERNATIONAL OPERATIONS LUXEMBOURG S.A. (LU) 2017-07-27 WO disclosed
US-20130005001-A1 METHOD FOR PRODUCING NEBIVOLOL CORDEN PHARMA INTERNATIONAL GMBH 2013-01-03 US disclosed
US-20130005001-A1 METHOD FOR PRODUCING NEBIVOLOL CORDEN PHARMA INTERNATIONAL GMBH 2013-01-03 US disclosed
WO-2011091968-A1 METHOD FOR PRODUCING NEBIVOLOL CORDEN PHARMACHEM GMBH (DE) 2011-08-04 WO disclosed
US-7560575-B2 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2009-07-14 US disclosed
US-7560575-B2 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2009-07-14 US disclosed
US-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL CIMEX PHARMA AG (CH) 2009-02-19 US disclosed
US-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL CIMEX PHARMA AG (CH) 2009-02-19 US disclosed
CN-101020685-A Synthesis process of 6-fluoro-3,4-dihydro-2H-1-benzopyran-2-epoxy ethane UNIV ZHEJIANG (CN) 2007-08-22 CN disclosed
US-20070149612-A1 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2007-06-28 US disclosed
US-20070149612-A1 Process for preparation of racemic Nebivolol ACINO PHARMA AG (CH) 2007-06-28 US 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 (9 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-10392361-B2 Process for the synthesis of intermediates of Nebivolol ADRB3, ADRB2, ADRB1 HTR1A 694/4885DRD2 388/4885HTR2A 658/4885
US-20130005001-A1 METHOD FOR PRODUCING NEBIVOLOL ADRA2B, ADRA1B, ADRB2 HTR1A 1114/4885DRD2 33/4885HTR2A 965/4885
US-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL ADRB1, ADRB2, ADRA2B HTR1A 101/4885DRD2 60/4885HTR2A 131/4885
US-20200102282-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 HTR1A 1318/4885DRD2 205/4885HTR2A 1349/4885
US-11142512-B2 Nebivolol synthesis method and intermediate compound thereof CYP4A11, CYP11B2, ADRB1 HTR1A 1318/4885DRD2 205/4885HTR2A 1349/4885
US-20220056003-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, CYP11B1 HTR1A 1267/4885DRD2 222/4885HTR2A 1351/4885
US-20190031636-A1 PROCESS FOR THE SYNTHESIS OF INTERMEDIATES OF NEBIVOLOL ADRB3, ADRB2, ADRB1 HTR1A 694/4885DRD2 388/4885HTR2A 658/4885
US-20070149612-A1 Process for preparation of racemic Nebivolol ADRB1, ADRB2, ADRA2B HTR1A 101/4885DRD2 60/4885HTR2A 131/4885
US-20180141926-A1 NEBIVOLOL SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF CYP4A11, CYP11B2, ADRB1 HTR1A 1318/4885DRD2 205/4885HTR2A 1349/4885

“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.