SCHEMBL10176875

SCHEMBL10176875

CC(C)Cc1ccc2c(c1)NCC(C)(C)O2

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TAAR1 Q96RJ0 3/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
HDAC4 P56524 2/20 0.34
KDM4E B2RXH2 1/20 0.34
BACE1 P56817 1/20 0.33
CYP2D6 P10635 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL17026819 0.88 ALOX15 (0.36) ALOX15ALOX12GABRA1GABRB2TAAR1
SCHEMBL10226457 0.83 PARP1 (0.48) HDAC4KDM4EPARP1
SCHEMBL21779696 0.77 HPGD (0.37) HDAC4KDM4E
SCHEMBL8194599 0.75 HIF1A (0.48) ALOX15ALOX12GABRA1GABRB2TAAR1
SCHEMBL24817874 0.75 TAAR1 (0.41) GABRA1GABRB2TAAR1SLC6A2SLC6A4
SCHEMBL430140 0.74 HSD17B10 (0.50) HDAC4KDM4E
SCHEMBL8194163 0.73 KDM4E (0.52) ALOX15ALOX12KDM4EPARP1
SCHEMBL3586235 0.73 MAPT (0.49) HDAC4KDM4E
SCHEMBL3792647 0.73 KDM4E (0.38) HDAC4KDM4EBACE1
SCHEMBL10176866 0.73 ALDH1A1 (0.57) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6

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-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-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-8466114-B2 Glycoside derivatives and uses thereof NOVARTIS AG (CH) 2013-06-18 US disclosed
US-8394772-B2 Glycoside derivative and uses thereof NOVARTIS AG (CH) 2013-03-12 US disclosed
US-20120196813-A1 GLYCOSIDE DERIVATIVE AND USES THEREOF NOVARTIS AG (CH) 2012-08-02 US 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

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 ALOX15 1630/4885ALOX12 1492/4885GABRA1 2676/4885
US-20120178680-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALOX15 1630/4885ALOX12 1492/4885GABRA1 2676/4885
US-20150141354-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALOX15 1630/4885ALOX12 1492/4885GABRA1 2676/4885
US-20110171159-A1 Glycoside Derivatives and Uses Thereof SLC5A1, SLC5A2, SLC2A1 ALOX15 1630/4885ALOX12 1492/4885GABRA1 2676/4885
US-20140274921-A1 GLYCOSIDE DERIVATIVES AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALOX15 1630/4885ALOX12 1492/4885GABRA1 2676/4885
US-20120196813-A1 GLYCOSIDE DERIVATIVE AND USES THEREOF SLC5A1, SLC5A2, SLC2A1 ALOX15 1656/4885ALOX12 1541/4885GABRA1 2715/4885

“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.