SCHEMBL76829

SCHEMBL76829

O=C(Nc1ccc(N2CCOCC2=O)cc1F)[C@H]1C[C@@H](O)CN1C(=O)/C=C/c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.51
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.38
ANPEP P15144 1/20 0.38
F11 P03951 1/20 0.35
MTOR P42345 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
SCHEMBL76830 1.00 F10 (0.51) F10NPC1RAB9ATDP1MMP2
SCHEMBL78049 0.93 F10 (0.59) F10NPC1RAB9A
SCHEMBL78050 0.93 F10 (0.59) F10NPC1RAB9A
SCHEMBL76700 0.90 F10 (0.48) F10NPC1RAB9ATDP1MMP2
SCHEMBL76701 0.90 F10 (0.48) F10NPC1RAB9ATDP1MMP2
SCHEMBL76278 0.89 F10 (0.66) F10NPC1RAB9ATDP1MMP2
SCHEMBL76277 0.89 F10 (0.66) F10NPC1RAB9ATDP1MMP2
SCHEMBL4209725 0.88 F10 (0.44) F10NPC1RAB9ATDP1MMP2
SCHEMBL78034 0.88 F10 (0.55) F10NPC1RAB9ATDP1
SCHEMBL78035 0.88 F10 (0.55) F10NPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US claimed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US claimed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US claimed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 US claimed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 US disclosed
US-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 US disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 US disclosed
US-20060183739-A1 Carbonyl compounds MERCK PATENT GMBH (DE) 2006-08-17 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 (3 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-20100256131-A1 CARBONYL COMPOUNDS F2, F11, PDHX F10 5/4885NPC1 2731/4885RAB9A 1813/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885NPC1 1383/4885RAB9A 3292/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885NPC1 2731/4885RAB9A 1813/4885

“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.