SCHEMBL76181

SCHEMBL76181

CN1CCC(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.47
LMNA P02545 4/20 0.43
CCR2 P41597 3/20 0.43
KCNH2 Q12809 3/20 0.43
POLB P06746 2/20 0.43
HTT P42858 1/20 0.43
F2 P00734 1/20 0.41
CCR1 P32246 2/20 0.41
EPHX2 P34913 1/20 0.40
KLKB1 P03952 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL78036 0.88 CCR2 (0.45) F10LMNACCR2KCNH2POLB
SCHEMBL77565 0.85 F10 (0.49) F10POLBCCR1EPHX2KLKB1
SCHEMBL2639372 0.84 LMNA (0.41) F10LMNACCR2KCNH2POLB
SCHEMBL13626507 0.81 KMT2A (0.52) KCNH2POLBMAPTNPC1RAB9A
SCHEMBL85155 0.79 CA12 (0.51) F10LMNAPOLBHTTKLKB1
SCHEMBL77683 0.77 CA12 (0.52) F10LMNAPOLBHTTMAPT
SCHEMBL75979 0.77 TRPV1 (0.65) F10LMNAPOLBHTTMAPT
SCHEMBL77436 0.77 LMNA (0.48) F10LMNAPOLBHTTMAPT
SCHEMBL85884 0.76 LMNA (0.43) F10LMNAPOLBEPHX2MAPT
SCHEMBL77525 0.76 GAA (0.55) LMNAHTTL3MBTL1MAPTNPC1

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-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 5/4885LMNA 918/4885CCR2 1472/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885LMNA 626/4885CCR2 1948/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX F10 5/4885LMNA 918/4885CCR2 1472/4885

“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.