SCHEMBL4900286

SCHEMBL4900286

COc1ccc(C(=O)N2CCOc3ccccc32)cc1Cl

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
MAPT P10636 3/20 0.55
NR3C2 P08235 1/20 0.53
NOTUM Q6P988 1/20 0.52
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.49
CPT1A P50416 1/20 0.46
CTSD P07339 1/20 0.46
TP53 P04637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
IDO1 P14902 1/20 0.44
KCNH2 Q12809 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
SCHEMBL4900201 0.87 SLC22A12 (0.60) POLBMAPTNR3C2NOTUMPDE4A
SCHEMBL4903593 0.86 POLB (0.64) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL1191142 0.85 GPBAR1 (0.48) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL1190155 0.85 SLC22A12 (0.59) POLBMAPTPDE4APDE4BPDE4C
SCHEMBL4900042 0.83 POLB (0.70) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL4897495 0.81 POLB (0.70) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL4901855 0.81 POLB (0.70) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL5012582 0.80 POLB (0.68) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL4891265 0.80 POLB (0.61) POLBMAPTNR3C2NOTUMRXFP1
SCHEMBL5012624 0.78 POLB (0.70) POLBMAPTNR3C2NOTUMRXFP1

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 4604/4885MAPT 962/4885NR3C2 775/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885MAPT 552/4885NR3C2 1019/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885MAPT 1019/4885NR3C2 701/4885

“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.