SCHEMBL85529

SCHEMBL85529

O=C(Nc1ccc(Cl)cc1)N[C@H]1CCC[C@H]1C(=O)Nc1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.52
FPR1 P21462 7/20 0.52
F10 P00742 8/20 0.51
F2 P00734 2/20 0.48
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL77517 0.85 F10 (0.62) FPR2FPR1F10MAPTSMN1; SMN2
SCHEMBL8271158 0.85 F10 (0.62) FPR2FPR1F10MAPTSMN1; SMN2
SCHEMBL5440980 0.78 KDM1A (0.49) FPR2FPR1F10F2HPGD
SCHEMBL4691652 0.78 FPR1 (0.48) FPR2FPR1F10HPGDTSHR
SCHEMBL13725967 0.76 F10 (0.53) F10LMNATSHRPOLB
SCHEMBL4745979 0.76 KDM1A (0.49) FPR2FPR1F10HPGDTSHR
SCHEMBL4745975 0.76 NPC1 (0.48) FPR2FPR1F10HPGDTSHR
SCHEMBL76526 0.75 RAB9A (0.62) FPR2FPR1F10LMNATSHR
SCHEMBL85562 0.75 RAB9A (0.62) FPR2FPR1F10LMNATSHR
SCHEMBL5443184 0.75 MAPT (0.57) F10F2LMNAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 FPR2 1695/4885FPR1 637/4885F10 5/4885
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB FPR2 553/4885FPR1 300/4885F10 22/4885

“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.