SCHEMBL77525

SCHEMBL77525

COc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MAPT P10636 2/20 0.55
NPC1 O15118 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
CACNA1G O43497 1/20 0.52
MC4R P32245 1/20 0.51
HTR1A P08908 3/20 0.50
HTR1D P28221 3/20 0.50
HTR1B P28222 3/20 0.50
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR6 P50406 3/20 0.50
HTR7 P34969 2/20 0.50
NAMPT P43490 1/20 0.50
RAB9A P51151 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL2639729 0.86 CACNA1G (0.50) GAAMAPTNPC1CA12CA1
SCHEMBL85155 0.84 CA12 (0.51) MAPTNPC1CA12CA1CA2
SCHEMBL13234943 0.82 GAA (0.77) GAAMAPTNPC1CA12CA1
SCHEMBL77683 0.80 CA12 (0.52) MAPTCA12CA1CA2CA9
SCHEMBL75788 0.80 KDM4E (0.54) GAAMAPTCA12CA1CA2
SCHEMBL75979 0.78 TRPV1 (0.65) GAAMAPTCA12CA1CA2
SCHEMBL77436 0.78 LMNA (0.48) GAAMAPTLMNAMAPK1HTT
SCHEMBL3828591 0.77 F10 (0.59) MAPK1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL76034 0.76 EP300 (0.47) MAPTLMNAHTTCYP2D6MEN1
SCHEMBL24012052 0.76 POLB (0.55) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
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-7906516-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2011-03-15 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-20100256131-A1 CARBONYL COMPOUNDS TSAKLAKIDIS CHRISTOS 2010-10-07 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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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 GAA 1047/4885MAPT 3896/4885NPC1 2731/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB GAA 660/4885MAPT 2660/4885NPC1 1383/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX GAA 1047/4885MAPT 3896/4885NPC1 2731/4885

“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.