SCHEMBL4496376

SCHEMBL4496376

CCOC(=O)C1CCN(c2cnc(N(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)Cc3nc(C)ccc3O)nc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CETP P11597 8/20 0.46
PDK2 Q15119 1/20 0.39
LGMN Q99538 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL4506280 0.88 CETP (0.47) CETPPDK2KMT2AALDH1A1MEN1
SCHEMBL4491971 0.88 CETP (0.47) CETPPDK2LGMNL3MBTL1
SCHEMBL4500614 0.83 CETP (0.61) CETP
SCHEMBL1587600 0.83 CETP (0.49) CETPPDK2LGMNL3MBTL1
SCHEMBL132026 0.83 CETP (0.45) CETPL3MBTL1KMT2AMEN1
SCHEMBL4493367 0.81 CETP (0.43) CETPPDK2KMT2AALDH1A1MEN1
SCHEMBL1587680 0.79 CETP (0.44) CETPPDK2L3MBTL1
SCHEMBL4500113 0.79 CETP (0.47) CETPPDK2KMT2AALDH1A1MEN1
SCHEMBL4490319 0.79 CETP (0.45) CETPPDK2KMT2AALDH1A1MEN1
SCHEMBL129898 0.78 CETP (0.43) CETPPDK2L3MBTL1ALDH1A1MAPT

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 1/4885PDK2 4233/4885LGMN 3282/4885

“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.