SCHEMBL4901495

SCHEMBL4901495

O=C(c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)N1CCCOc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
NAAA Q02083 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
NR3C2 P08235 1/20 0.40
GRM7 Q14831 1/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
AVPR2 P30518 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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 0.94 POLB (0.58) POLBNAAATSHRKDM4ENR3C2
SCHEMBL4898134 0.83 PDK1 (0.45) POLBNAAATSHRKDM4EDRD2
SCHEMBL4895457 0.82 LMNA (0.56) POLBTSHRAVPR2ALDH1A1
SCHEMBL4902291 0.82 POLB (0.59) POLBNR3C2GPBAR1DRD2DRD4
SCHEMBL4899011 0.81 POLB (0.60) POLBHDAC1HDAC6TSHRNR3C2
SCHEMBL4895480 0.81 AVPR2 (0.58) TSHRAVPR2ALDH1A1
SCHEMBL4891020 0.81 POLB (0.52) POLBNAAATSHRNR3C2DRD2
SCHEMBL4899123 0.81 L3MBTL1 (0.46) POLBNAAA
SCHEMBL4895541 0.80 NAAA (0.50) POLBNAAAKDM4EALDH1A1
SCHEMBL4898960 0.80 NAAA (0.48) POLBNAAAKDM4EGPBAR1ALDH1A1

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 1624/4885HDAC1 1908/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 POLB 4164/4885NAAA 357/4885HDAC1 2120/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 POLB 4495/4885NAAA 471/4885HDAC1 2648/4885

“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.