SCHEMBL4903585

SCHEMBL4903585

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 9/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
POLB P06746 1/20 0.45
CYP11B2 P19099 1/20 0.42
CYP2C9 P11712 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
HSD11B1 P28845 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
NOTUM Q6P988 2/20 0.36
AVPR1A P37288 1/20 0.36

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
SCHEMBL4898960 0.82 NAAA (0.48) POLBCTNNB1WNT3AGPBAR1
SCHEMBL4901855 0.80 POLB (0.70) SLC22A12SLC22A6ABCG2SLC22A8POLB
SCHEMBL4899143 0.78 POLB (0.47) SLC22A12SLC22A6ABCG2SLC22A8POLB
SCHEMBL19859246 0.76 CYP11B2 (0.47) SLC22A12POLBCYP11B2RAB9ACTNNB1
SCHEMBL1190479 0.76 SLC22A12 (0.63) SLC22A12SLC22A6ABCG2SLC22A8POLB
SCHEMBL4900266 0.76 POLB (0.45) SLC22A12SLC22A6ABCG2SLC22A8POLB
SCHEMBL1191236 0.76 SLC22A12 (0.77) SLC22A12SLC22A6ABCG2SLC22A8POLB
Bromide SCHEMBL1190287 0.75 SLC22A12 (0.75) SLC22A12SLC22A6ABCG2SLC22A8POLB
Bromide SCHEMBL1190165 0.75 SLC22A12 (0.61) SLC22A12SLC22A6ABCG2SLC22A8POLB
SCHEMBL12076615 0.75 CYP11B2 (0.62) POLBCYP11B2CTNNB1WNT3ANOTUM

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 14 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
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 SLC22A12 446/4885SLC22A6 521/4885ABCG2 18/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 SLC22A12 260/4885SLC22A6 375/4885ABCG2 336/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 SLC22A12 371/4885SLC22A6 285/4885ABCG2 344/4885

“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.