SCHEMBL5015476

SCHEMBL5015476

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
NR3C2 P08235 1/20 0.58
NOTUM Q6P988 1/20 0.57
FAAH O00519 2/20 0.54
NAAA Q02083 2/20 0.54
ALDH1A1 P00352 2/20 0.49
PDK1 Q15118 1/20 0.49
CTSD P07339 1/20 0.48
SCD5 Q86SK9 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
THRB P10828 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 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
SCHEMBL16193763 0.89 POLB (0.78) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL5015512 0.87 POLB (0.77) POLBNR3C2NOTUMNAAAALDH1A1
SCHEMBL18773878 0.85 POLB (0.62) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL5010850 0.85 POLB (0.58) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL15031153 0.82 POLB (0.58) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL27445724 0.82 POLB (0.58) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL2056373 0.80 POLB (0.56) POLBNR3C2NOTUMFAAHNAAA
SCHEMBL5012014 0.80 NOTUM (0.63) POLBNR3C2NOTUMPDK1SCD5
SCHEMBL5012553 0.80 POLB (0.78) POLBNR3C2NOTUMPDK1CTSD
SCHEMBL1690110 0.79 POLB (0.55) POLBNR3C2NOTUMFAAHNAAA

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 10 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
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 4604/4885NR3C2 775/4885NOTUM 462/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NR3C2 1019/4885NOTUM 1009/4885

“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.