SCHEMBL77565

SCHEMBL77565

CN1CCC(N2CCC(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.49
POLB P06746 2/20 0.46
KLKB1 P03952 3/20 0.43
SLC6A5 Q9Y345 1/20 0.42
CCR1 P32246 1/20 0.39
EPHX2 P34913 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 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
SCHEMBL85884 0.91 LMNA (0.43) F10POLBEPHX2KMT2AMAPT
SCHEMBL76181 0.85 F10 (0.47) F10POLBKLKB1CCR1EPHX2
SCHEMBL75996 0.79 TRPV1 (0.53) F10POLBKLKB1MAPT
SCHEMBL8470830 0.77 F10 (0.57) F10POLBKLKB1KMT2ACYP3A4
SCHEMBL12371425 0.77 F10 (0.57) F10POLBKLKB1KMT2ACYP3A4
SCHEMBL77710 0.76 F10 (0.66) F10POLBKLKB1CYP3A4MAPT
SCHEMBL85147 0.76 F10 (0.66) F10POLBKLKB1CYP3A4MAPT
SCHEMBL3834358 0.75 F10 (0.62) F10POLBKLKB1KMT2AMAPT
SCHEMBL3590288 0.75 F10 (0.62) F10POLBKLKB1CCR1KMT2A
SCHEMBL78036 0.75 CCR2 (0.45) F10POLBKLKB1CCR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2006032342-A2 CARBONYL COMPOUND-CONTAINING DRUG AND THE USE THEREOF MERCK PATENT GMBH (DE) 2006-03-30 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 (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 5/4885POLB 2957/4885KLKB1 723/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885POLB 3094/4885KLKB1 2357/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885POLB 2957/4885KLKB1 723/4885

“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.