SCHEMBL4040926

SCHEMBL4040926

N#Cc1cccc(C(O)CCc2c(Br)cccc2Br)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.40
GSK3B P49841 2/20 0.37
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
TNF P01375 1/20 0.36
S1PR1 P21453 2/20 0.35
ENPP2 Q13822 1/20 0.35
FAAH O00519 2/20 0.34
FFAR1 O14842 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FOLH1 Q04609 1/20 0.33
LMNA P02545 1/20 0.33
HSD11B1 P28845 1/20 0.32
EPAS1 Q99814 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32

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
SCHEMBL12719580 0.83 S1PR1 (0.40) S1PR1
SCHEMBL8949484 0.78 GSK3B (0.49) GRM4GSK3BMMP12MMP13TNF
SCHEMBL4039570 0.78 RIPK1 (0.46) LMNA
SCHEMBL4041204 0.78 HDAC4 (0.41)
SCHEMBL4038467 0.78 SLC2A1 (0.42) LMNA
SCHEMBL12056784 0.77 GRM4 (0.44) GRM4GSK3BTNFS1PR1ENPP2
SCHEMBL19707534 0.76 GRM4 (0.43) GRM4TNFS1PR1ENPP2
SCHEMBL4697927 0.75 S1PR1 (0.45) GRM4GSK3BTNFS1PR1ENPP2
SCHEMBL6540746 0.75 S1PR1 (0.45) GRM4GSK3BTNFS1PR1ENPP2
SCHEMBL6481575 0.75 S1PR1 (0.45) GRM4GSK3BTNFS1PR1ENPP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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 (1 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 GRM4 4780/4885GSK3B 2393/4885MMP12 2992/4885

“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.