SCHEMBL4898960

SCHEMBL4898960

O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1CCOc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.48
GRM5 P41594 3/20 0.46
POLB P06746 1/20 0.41
FAAH O00519 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SLC6A7 Q99884 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PPIA P62937 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37

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 0.86 POLB (0.58) NAAAPOLBFAAHKDM4EL3MBTL1
SCHEMBL4895541 0.82 NAAA (0.50) NAAAGRM5POLBFAAHKDM4E
SCHEMBL4903585 0.82 SLC22A12 (0.46) POLBCTNNB1WNT3AGPBAR1
SCHEMBL4901495 0.80 POLB (0.50) NAAAPOLBKDM4EALDH1A1GPBAR1
SCHEMBL4898134 0.76 PDK1 (0.45) NAAAPOLBFAAHKDM4EL3MBTL1
SCHEMBL4899123 0.75 L3MBTL1 (0.46) NAAAPOLBL3MBTL1
SCHEMBL4902291 0.74 POLB (0.59) POLBL3MBTL1GPBAR1
SCHEMBL12415884 0.74 MAPT (0.56) NAAAGRM5FAAHALDH1A1
SCHEMBL4891020 0.73 POLB (0.52) NAAAGRM5POLBFAAH
SCHEMBL4892259 0.73 ALDH1A1 (0.47) NAAAALDH1A1

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 1624/4885GRM5 3506/4885POLB 4604/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 NAAA 357/4885GRM5 1868/4885POLB 4164/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 NAAA 471/4885GRM5 3861/4885POLB 4495/4885

“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.