SCHEMBL3969356

SCHEMBL3969356

C=CCOC(=O)CC(=O)C1CCc2cc(F)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR1A P08908 2/20 0.43
MLNR O43193 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
KCNE1 P15382 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
SLC6A2 P23975 1/20 0.43
NPY1R P25929 1/20 0.43
HTR2C P28335 1/20 0.43
AVPR2 P30518 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43

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
SCHEMBL3468885 0.86 CYP4F2 (0.52) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL3911095 0.85 CYP4F2 (0.54) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL8486914 0.84 MLNR (0.48) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL3900279 0.80 MLNR (0.45) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL17011671 0.80 MLNR (0.45) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL14681262 0.77 MLNR (0.50) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL14681254 0.77 MLNR (0.50) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL13762752 0.77 CYP4F2 (0.48) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL3905461 0.76 HTR1A (0.49) HTR2AHTR1AMLNRADRB2ADRB1
SCHEMBL17787510 0.76 MLNR (0.49) HTR2AHTR1AMLNRADRB2ADRB1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1803716-B1 A process for preparation of racemic nebivolol ACINO PHARMA AG (CH) 2012-07-25 EP 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
WO-2008010022-A2 A PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL CIMEX PHARMA AG (US) 2008-01-24 WO disclosed
EP-1803716-A1 A process for preparation of racemic nebivolol Cimex Pharma AG (CH) 2007-07-04 EP disclosed
EP-1803715-A1 A process for preparation of racemic nebivolol Cimex Pharma AG (CH) 2007-07-04 EP 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 (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-20090048457-A1 PROCESS FOR PREPARATION OF RACEMIC NEBIVOLOL ADRB1, ADRB2, ADRA2B HTR2A 131/4885HTR1A 101/4885MLNR 452/4885
US-20070149612-A1 Process for preparation of racemic Nebivolol ADRB1, ADRB2, ADRA2B HTR2A 131/4885HTR1A 101/4885MLNR 452/4885

“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.