SCHEMBL4036038

SCHEMBL4036038

Fc1cccc(C2CCc3c(cccc3-c3cccc(OC(F)(F)F)c3)N2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CETP P11597 14/20 0.46
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
GRIN2B Q13224 2/20 0.38
HTR1A P08908 1/20 0.36
HTR7 P34969 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
SCHEMBL12719833 0.96 CETP (0.47) CETPDRD2DRD1PIM1PIM2
SCHEMBL4038513 0.94 CETP (0.51) CETPDRD2DRD1GRIN2B
SCHEMBL4041526 0.90 CETP (0.48) CETPDRD2DRD1PIM1PIM2
SCHEMBL4035276 0.89 CETP (0.49) CETPDRD2DRD1HTR1AHTR7
SCHEMBL15703291 0.89 CETP (0.47) CETPDRD2DRD1GRIN2B
SCHEMBL4035499 0.89 GRIN2B (0.51) CETPDRD2DRD1GRIN2BHTR1A
SCHEMBL4032740 0.89 CETP (0.49) CETPDRD2DRD1HTR1AHTR7
SCHEMBL12719441 0.89 CETP (0.55) CETPDRD2DRD1PIM1PIM2
SCHEMBL4037259 0.88 CETP (0.56) CETP
SCHEMBL1619210 0.88 CETP (0.56) CETP

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 CETP 1/4885DRD2 4261/4885DRD1 4229/4885

“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.