SCHEMBL4035714

SCHEMBL4035714

Fc1cccc(C2CCc3c(Br)cccc3N2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
GID4 Q8IVV7 1/20 0.35
CA1 P00915 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KIF11 P52732 2/20 0.33
JAK2 O60674 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.33
P2RX7 Q99572 2/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL4035392 0.84 GID4 (0.45) KMT2AGID4L3MBTL1ALDH1A1CYP3A4
SCHEMBL4033053 0.83 MEN1 (0.41) KMT2AGID4L3MBTL1ALDH1A1MEN1
SCHEMBL4038335 0.83 HTR2C (0.45) KIF11HTR2AHTR2CHTR2B
SCHEMBL4038737 0.80 DRD2 (0.43) GID4CYP2D6
SCHEMBL4036036 0.80 KDM4E (0.46) KMT2AGID4L3MBTL1MEN1HTR2C
SCHEMBL14147468 0.80 EP300 (0.32) KMT2AGID4MEN1
SCHEMBL4041534 0.80 GRIN2B (0.39) KIF11
SCHEMBL14147379 0.80 EP300 (0.32) KMT2AGID4MEN1
SCHEMBL29746266 0.78 ESR1 (0.43) KMT2ACA1L3MBTL1JAK2ALDH1A1
SCHEMBL26613543 0.78 ESR1 (0.43) KMT2ACA1L3MBTL1JAK2ALDH1A1

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 KMT2A 2353/4885GID4 2875/4885CA1 4649/4885

“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.