SCHEMBL5012014

SCHEMBL5012014

O=C(O)c1ccccc1C(=O)N1CCOc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.63
POLB P06746 1/20 0.62
SLC22A12 Q96S37 6/20 0.56
PDK1 Q15118 1/20 0.54
NR3C2 P08235 1/20 0.50
SCD5 Q86SK9 1/20 0.49
RXFP1 Q9HBX9 2/20 0.49
THRB P10828 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.48
MAPT P10636 1/20 0.48

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 0.84 POLB (0.78) NOTUMPOLBSLC22A12PDK1NR3C2
SCHEMBL5015512 0.84 POLB (0.77) NOTUMPOLBSLC22A12PDK1NR3C2
SCHEMBL6648039 0.82 NOTUM (0.73) NOTUMPOLBSLC22A12PDK1NR3C2
SCHEMBL5015476 0.80 POLB (0.64) NOTUMPOLBSLC22A12PDK1NR3C2
SCHEMBL4898768 0.78 POLB (0.77) NOTUMPOLBSLC22A12PDK1NR3C2
SCHEMBL16144907 0.78 NOTUM (0.71) NOTUMPOLBPDK1NR3C2RXFP1
SCHEMBL1548726 0.78 NOTUM (0.71) NOTUMPOLBPDK1NR3C2RXFP1
SCHEMBL7350334 0.78 NOTUM (1.00) NOTUMPOLBPDK1RXFP1THRB
Hydrochloric Acid SCHEMBL27851171 0.76 NOTUM (0.69) NOTUMPOLBPDK1NR3C2RXFP1
SCHEMBL30058952 0.76 GPBAR1 (0.68) NOTUMPOLBSLC22A12PDK1NR3C2

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 NOTUM 462/4885POLB 4604/4885SLC22A12 446/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NOTUM 1009/4885POLB 4164/4885SLC22A12 260/4885

“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.