SCHEMBL4893728

SCHEMBL4893728

COc1ccc2c(OC(C)COC(C)(C)C)ccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.46
CYP3A4 P08684 3/20 0.46
HTR1A P08908 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
FERMT2 Q96AC1 1/20 0.43
GAK O14976 1/20 0.41
RIPK2 O43353 1/20 0.41
COQ8A Q8NI60 1/20 0.41
NLK Q9UBE8 1/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
TEK Q02763 1/20 0.40
AURKB Q96GD4 1/20 0.40
TLR8 Q9NR97 1/20 0.40
PRKACG P22612 1/20 0.39
FGFR2 P21802 1/20 0.39

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
SCHEMBL3839042 0.83 HTR1A (0.51) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL3839036 0.82 HTR1A (0.50) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL12762533 0.80 HTR1A (0.52) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL2608925 0.78 HTR1A (0.54) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL13757627 0.77 HTR1A (0.52) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL8145365 0.77 HTR1A (0.61) METHTR1AADRA1DADRA1AADRA1B
SCHEMBL3846004 0.76 HTR1A (0.51) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL3844485 0.76 HTR1A (0.51) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL13443841 0.73 HTR1A (0.57) METCYP3A4HTR1AADRA1DADRA1A
SCHEMBL23479845 0.73 MET (0.53) METCYP3A4HTR1AADRA1DADRA1A

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
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-8314087-B2 Nitrogen-containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2012-11-20 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
US-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use AMGEN INC. (US) 2008-11-13 US disclosed
WO-2008103277-A2 NITROGEN-CONTAINING HETEROCYCLYL KETONES AND THEIR USE AS C-MET INHIBITORS AMGEN INC. (US) 2008-08-28 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 (1 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-20080280917-A1 Nitrogen-Containing heterocyclyl ketones and methods of use HGF, HGFAC, MET MET 3/4885CYP3A4 262/4885HTR1A 3914/4885

“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.