SCHEMBL2838337

SCHEMBL2838337

COC(C)(C)CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CCCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
PGR P06401 1/20 0.50
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
ALOX15 P16050 1/20 0.33
SQLE Q14534 3/20 0.31

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
SCHEMBL2840460 1.00 NR1I2 (0.50) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2833053 1.00 NR1I2 (0.50) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2832988 0.95 LMNA (0.55) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2837914 0.95 LMNA (0.55) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2832404 0.91 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2838626 0.91 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2835821 0.91 NR1I2 (0.62) NR1I2LMNAPGRFNTAFNTB
SCHEMBL5200405 0.91 NR1I2 (0.59) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2837836 0.91 NR1I2 (0.46) NR1I2LMNAPGRFNTAFNTB
SCHEMBL2836272 0.89 NR1I2 (0.42) NR1I2LMNAPGRFNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866323-B1 GLUCURONIDATED NEBIVOLOL MYLAN LAB INC (US) 2017-05-31 EP disclosed
EP-1848424-B1 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LAB INC (US) 2017-04-05 EP disclosed
EP-2808015-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2014-12-03 EP disclosed
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-03-17 US disclosed
US-7838552-B2 Compositions comprising nebivolol FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-23 US disclosed
EP-2174658-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2010-04-14 EP disclosed
EP-1982711-A1 Compositions comprsing nebivolol MYLAN LABORATORIES, INC (US) 2008-10-22 EP disclosed
US-20080161296-A1 Compositions comprising nebivolol DEY, INC. (F/K/A DEY LABORATORIES, INC.) 2008-07-03 US disclosed
EP-1866323-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC (US) 2007-12-19 EP disclosed
US-20070014734-A1 Glucuronidated nebivolol metabolites MYLAN INC. (F/K/A MYLAN LABORATORIES INC.) 2007-01-18 US disclosed
US-20070014733-A1 Hydroxylated nebivolol metabolites DEY PHARMA, L.P. (F/K/A DEY L.P.) 2007-01-18 US disclosed
WO-2006083780-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC. (US) 2006-08-10 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-20080161296-A1 Compositions comprising nebivolol ADRB1, ADRB3, ADRB2 NR1I2 554/4885LMNA 185/4885PGR 3963/4885
US-20070014734-A1 Glucuronidated nebivolol metabolites UGT1A4, UGT1A3, UGT1A1 NR1I2 241/4885LMNA 1082/4885PGR 3024/4885
US-20110065783-A1 HYDROXYLATED NEBIVOLOL METABOLITES EDNRB, EDNRA, ADRB1 NR1I2 967/4885LMNA 862/4885PGR 4054/4885
US-20070014733-A1 Hydroxylated nebivolol metabolites EDNRB, EDNRA, ADRB1 NR1I2 967/4885LMNA 862/4885PGR 4054/4885

“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.