SCHEMBL1670205

SCHEMBL1670205

CC(C)c1ccc(Br)cc1C(O)c1ccc2c(c1)N(Cc1ccccc1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 9/20 0.45
HDAC6 Q9UBN7 9/20 0.45
ADRB3 P13945 3/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
HDAC8 Q9BY41 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC2 Q92769 1/20 0.39
ACHE P22303 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HIF1A Q16665 1/20 0.38
LMNA P02545 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL1672761 0.82 IGF1R (0.39) HDAC1HDAC6CYP2D6IGF1R
SCHEMBL1670282 0.80 HDAC1 (0.47) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL31476426 0.79 HDAC1 (0.62) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL1670322 0.79 HDAC1 (0.62) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL16030871 0.72 CYP1A2 (0.55) HDAC1HDAC6HDAC8ACHECYP1A2
SCHEMBL9204868 0.72 ADRB3 (0.59) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL1670237 0.70 HDAC1 (0.49) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL20858899 0.70 ADRB3 (0.52) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL4975930 0.70 CHRM2 (0.56) HDAC1HDAC6ADRB3ADRB2ADRB1
SCHEMBL786870 0.68 HDAC1 (0.62) HDAC1HDAC6HDAC8HDAC3HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49080-E1 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2022-05-24 US disclosed
US-9895389-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2018-02-20 US disclosed
US-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2017-02-16 US disclosed
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US disclosed
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2014-09-18 US disclosed
US-8828951-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2014-09-09 US disclosed
US-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2013-01-17 US disclosed
EP-2491029-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2012-08-29 EP disclosed
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2012-07-12 US disclosed
US-8163704-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20110171159-A1 Glycoside Derivatives and Uses Thereof NOVARTIS AG (CH) 2011-07-14 US disclosed
WO-2011048112-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2011-04-28 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-20170042925-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20130017993-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 HDAC1 1279/4885HDAC6 636/4885ADRB3 1676/4885

“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.