SCHEMBL4041375

SCHEMBL4041375

O=C(CCc1c(Br)cccc1Br)c1cccc(OC(F)(F)C(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 2/20 0.39
EPHX2 P34913 1/20 0.39
CTNNB1 P35222 2/20 0.39
WNT3A P56704 2/20 0.39
BRAF P15056 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KAT6A Q92794 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35

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
SCHEMBL4037445 0.89 KAT6A (0.46) MAPTHTTKAT6AALDH1A1HDAC8
SCHEMBL4035963 0.88 ALDH1A1 (0.42) MAPTNPC1RAB9AHTTPDE4A
SCHEMBL14148109 0.87 PDE4A (0.46) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL14023387 0.80 GSK3B (0.48) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4038562 0.80 CES2 (0.54) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL2379221 0.78 MAPT (0.46) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4041593 0.77 CES2 (0.53) MAPTNPC1RAB9ASMN1; SMN2CTNNB1
SCHEMBL4035192 0.77 ABCB1 (0.37) SMN1; SMN2HTTLMNAALDH1A1KCNH2
SCHEMBL2379941 0.76 NPC1 (0.42) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL4039244 0.74 CTNNB1 (0.49) MAPTNPC1RAB9ASMN1; SMN2HTT

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 5 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
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
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 MAPT 3317/4885NPC1 2/4885RAB9A 2981/4885

“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.