SCHEMBL4038737

SCHEMBL4038737

N#Cc1cccc(C2CCc3c(Br)cccc3N2)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.43
DRD3 P35462 10/20 0.43
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
GID4 Q8IVV7 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IGF1R P08069 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL4035392 0.81 GID4 (0.45) GID4
SCHEMBL29746141 0.80 DRD2 (0.46) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL4033053 0.80 MEN1 (0.41) GID4TSHRSLC6A2SLC6A3
SCHEMBL26613347 0.80 DRD2 (0.46) DRD2DRD3ABCC9ABCC8KCNJ11
SCHEMBL4035714 0.80 KMT2A (0.37) GID4CYP2D6
SCHEMBL4038335 0.77 HTR2C (0.45) DRD2
SCHEMBL4036036 0.77 KDM4E (0.46) DRD2GID4DDB1CRBN
SCHEMBL14147468 0.74 EP300 (0.32) GID4
SCHEMBL14147379 0.74 EP300 (0.32) GID4
SCHEMBL4041534 0.74 GRIN2B (0.39) ABCC9ABCC8KCNJ11KCNJ8

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 DRD2 4261/4885DRD3 3586/4885ABCC9 498/4885

“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.