SCHEMBL5010850

SCHEMBL5010850

COC(=O)c1cccc(C(=O)N2CCOc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
NOTUM Q6P988 1/20 0.56
NR3C2 P08235 1/20 0.54
MAPT P10636 3/20 0.52
RXFP1 Q9HBX9 3/20 0.51
CYP2C9 P11712 1/20 0.48
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.47
FAAH O00519 2/20 0.47
NAAA Q02083 1/20 0.47
IDO1 P14902 1/20 0.46
KCNH2 Q12809 1/20 0.46
CTSD P07339 1/20 0.46
KMT2A Q03164 1/20 0.45
SCD5 Q86SK9 1/20 0.45
PDK1 Q15118 1/20 0.45

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
SCHEMBL5012624 0.89 POLB (0.70) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL18580946 0.85 POLB (0.55) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL5015476 0.85 POLB (0.64) POLBNOTUMNR3C2RXFP1LMNA
SCHEMBL18773878 0.84 POLB (0.62) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL15031153 0.83 POLB (0.58) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL16193763 0.81 POLB (0.78) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL2056373 0.79 POLB (0.56) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL27445724 0.78 POLB (0.58) POLBNOTUMNR3C2RXFP1LMNA
SCHEMBL4900286 0.78 POLB (0.65) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL1690110 0.78 POLB (0.55) POLBNOTUMNR3C2MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP claimed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US claimed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 POLB 4604/4885NOTUM 462/4885NR3C2 775/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NOTUM 1009/4885NR3C2 1019/4885

“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.