SCHEMBL78036

SCHEMBL78036

CCN1CCN(C2CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Nc3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.45
KCNH2 Q12809 1/20 0.45
F10 P00742 2/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CCR1 P32246 3/20 0.42
ALOX5 P09917 1/20 0.42
NR3C1 P04150 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.41
CHRM4 P08173 1/20 0.41
KLKB1 P03952 1/20 0.41

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
SCHEMBL76181 0.88 F10 (0.47) CCR2KCNH2F10POLBLMNA
SCHEMBL2639859 0.85 LMNA (0.41) CCR2KCNH2POLBKMT2ALMNA
SCHEMBL77565 0.75 F10 (0.49) F10POLBKMT2ACCR1MAPT
SCHEMBL85155 0.75 CA12 (0.51) F10POLBKMT2ALMNATP53
SCHEMBL75979 0.73 TRPV1 (0.65) F10POLBLMNAMAPT
SCHEMBL77683 0.73 CA12 (0.52) F10POLBKMT2ALMNATP53
SCHEMBL77436 0.73 LMNA (0.48) F10POLBKMT2ALMNANPSR1
SCHEMBL13890612 0.73 F10 (0.56) F10POLBKMT2ALMNACCR1
SCHEMBL20446539 0.73 F10 (0.56) F10POLBKMT2ALMNACCR1
SCHEMBL20446631 0.73 F10 (0.56) F10POLBKMT2ALMNACCR1

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 CCR2 1472/4885KCNH2 2359/4885F10 5/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB CCR2 1948/4885KCNH2 2699/4885F10 22/4885
US-20060183739-A1 Carbonyl compounds F2, F11, PDHX CCR2 1472/4885KCNH2 2359/4885F10 5/4885

“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.