SCHEMBL4897495

SCHEMBL4897495

O=C(c1ccc(Cl)c(O)c1)N1CCOc2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
NR3C2 P08235 1/20 0.57
NOTUM Q6P988 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
GPBAR1 Q8TDU6 1/20 0.50
CTSD P07339 1/20 0.48
PDK1 Q15118 1/20 0.46
SCD5 Q86SK9 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
SLC22A12 Q96S37 1/20 0.45
IDO1 P14902 1/20 0.45
KCNH2 Q12809 1/20 0.45
RORC P51449 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
SCHEMBL4900042 0.90 POLB (0.70) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL4901855 0.85 POLB (0.70) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL4892181 0.84 POLB (0.64) POLBNR3C2NOTUMRXFP1CTSD
SCHEMBL5012553 0.82 POLB (0.78) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL4898768 0.81 POLB (0.77) POLBNR3C2NOTUMRXFP1CTSD
SCHEMBL4900286 0.81 POLB (0.65) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL5012582 0.81 POLB (0.68) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL5474801 0.80 POLB (0.53) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL4899756 0.80 POLB (0.62) POLBNR3C2NOTUMRXFP1GPBAR1
SCHEMBL4892196 0.80 POLB (0.59) POLBNR3C2NOTUMRXFP1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US claimed
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
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 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 (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-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
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885NR3C2 701/4885NOTUM 661/4885

“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.