SCHEMBL4892163

SCHEMBL4892163

O=C(c1ccc(OCc2ccccc2)cc1)N1CCOc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 4/20 0.74
POLB P06746 1/20 0.62
FAAH O00519 1/20 0.57
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
SLC6A7 Q99884 1/20 0.50
NOTUM Q6P988 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
NR3C2 P08235 1/20 0.49
GRM5 P41594 1/20 0.49
EGFR P00533 1/20 0.49
MAOB P27338 2/20 0.49
MAOA P21397 1/20 0.49
PARP10 Q53GL7 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
SCHEMBL19612619 0.85 NAAA (1.00) NAAAFAAHSLC6A7NR4A1NR4A2
SCHEMBL4893108 0.82 POLB (0.58) NAAAPOLBFAAHMAPTLMNA
SCHEMBL4891020 0.82 POLB (0.52) NAAAPOLBFAAHMAPTLMNA
SCHEMBL16193763 0.82 POLB (0.78) NAAAPOLBFAAHMAPTRXFP1
SCHEMBL4898768 0.81 POLB (0.77) NAAAPOLBMAPTLMNARXFP1
SCHEMBL5015512 0.81 POLB (0.77) NAAAPOLBMAPTRXFP1NOTUM
SCHEMBL16193419 0.78 RAB9A (0.61) NAAAPOLBMAPTLMNARXFP1
SCHEMBL5012624 0.77 POLB (0.70) NAAAPOLBMAPTLMNARXFP1
SCHEMBL4901495 0.76 POLB (0.50) NAAAPOLBRXFP1NOTUMNR3C2
SCHEMBL25215410 0.75 NOTUM (0.46) NAAAPOLBFAAHMAPTLMNA

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 NAAA 1624/4885POLB 4604/4885FAAH 1693/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NAAA 357/4885POLB 4164/4885FAAH 1028/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 NAAA 471/4885POLB 4495/4885FAAH 1733/4885

“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.