SCHEMBL4891020

SCHEMBL4891020

Cc1cc(C(=O)N2CCOc3ccccc32)cc(C)c1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
NAAA Q02083 3/20 0.51
NOTUM Q6P988 1/20 0.49
NR3C2 P08235 1/20 0.46
MAPT P10636 3/20 0.45
RXFP1 Q9HBX9 2/20 0.45
LMNA P02545 1/20 0.45
GRM5 P41594 2/20 0.44
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
THRB P10828 1/20 0.43
FAAH O00519 1/20 0.43

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
SCHEMBL4893108 0.87 POLB (0.58) POLBNAAANOTUMNR3C2MAPT
SCHEMBL4892163 0.82 NAAA (0.74) POLBNAAANOTUMNR3C2MAPT
SCHEMBL25215410 0.82 NOTUM (0.46) POLBNAAANOTUMMAPTRXFP1
SCHEMBL30301536 0.82 NOTUM (0.46) POLBNAAANOTUMMAPTRXFP1
SCHEMBL4901495 0.81 POLB (0.50) POLBNAAANOTUMNR3C2RXFP1
SCHEMBL4901707 0.81 POLB (0.62) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL16193763 0.76 POLB (0.78) POLBNAAANOTUMNR3C2MAPT
SCHEMBL4902291 0.75 POLB (0.59) POLBNOTUMNR3C2MAPTRXFP1
SCHEMBL15031153 0.75 POLB (0.58) POLBNAAANOTUMNR3C2MAPT
SCHEMBL4898134 0.74 PDK1 (0.45) POLBNAAANOTUMMAPTRXFP1

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-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
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

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 4604/4885NAAA 1624/4885NOTUM 462/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NAAA 357/4885NOTUM 1009/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885NAAA 471/4885NOTUM 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.