SCHEMBL4493367

SCHEMBL4493367

CCOC(=O)C1CCN(c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3cc4ccccc4c(=O)[nH]3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.43
ALDH1A1 P00352 7/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK2 Q15119 1/20 0.40
RECQL P46063 1/20 0.38
PARP1 P09874 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL4509867 0.90 CETP (0.48) CETPPARP1
SCHEMBL4497403 0.84 CETP (0.43) CETPALDH1A1NPSR1HTTMEN1
SCHEMBL4490319 0.83 CETP (0.45) CETPALDH1A1NPSR1HTTMEN1
SCHEMBL4500113 0.83 CETP (0.47) CETPALDH1A1NPSR1HTTMEN1
SCHEMBL4503908 0.83 CETP (0.45) CETPALDH1A1NPSR1HTTMEN1
SCHEMBL4496376 0.81 CETP (0.46) CETPALDH1A1MEN1KMT2APDK2
SCHEMBL1587600 0.80 CETP (0.49) CETPPDK2
SCHEMBL4506280 0.79 CETP (0.47) CETPALDH1A1NPSR1HTTMEN1
SCHEMBL132026 0.78 CETP (0.45) CETPMEN1KMT2ASMN1; SMN2
SCHEMBL129898 0.78 CETP (0.43) CETPALDH1A1PDK2MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 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-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB CETP 1/4885ALDH1A1 3188/4885NPSR1 3745/4885

“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.